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Summary Geometry Related PDB entries

SMU

Summary

Name:	[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese
Formula:	C32 H20 Mn N4
Formal charge:	2
Formula weight:	515.466 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese(2+)

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c45ccc6C(c1ccccc1)=C7C=CC=8C=C2N9C(C=C2)=C(C3=[N+](C(C=C3)=C4)[Mn]9(n56)[N+]7=8)c%10ccccc%10
InChI	InChI	1.03	InChI=1S/C32H20N4.Mn/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24;/h1-20H;/q-2;+4/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-;
InChIKey	InChI	1.03	DJKZAHBUCCSCPB-RIEOGESVSA-N
SMILES_CANONICAL	CACTVS	3.385	c1ccc(cc1)C2=C3C=CC4=[N@+]3[Mn@@]56n7c(ccc27)C=C8C=CC(=[N@+]58)C(=C9C=CC(=C4)[N@@]69)c%10ccccc%10
SMILES	CACTVS	3.385	c1ccc(cc1)C2=C3C=CC4=[N+]3[Mn]56n7c(ccc27)C=C8C=CC(=[N+]58)C(=C9C=CC(=C4)[N]69)c%10ccccc%10
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c3ccc4n3[Mn]56n7c(ccc7c(c8[n+]5c(c4)C=C8)c9ccccc9)cc1[n+]6c2C=C1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c3ccc4n3[Mn]56n7c(ccc7c(c8[n+]5c(c4)C=C8)c9ccccc9)cc1[n+]6c2C=C1

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PDB entries from 2026-01-28

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