5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin

C34H26N4O2 — CID 11642161

IUPAC5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
SMILESCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OC)c4)c4ccc(cc5nc2C=C5)[nH]4)C=C3)c1
InChIInChI=1S/C34H26N4O2/c1-39-27-7-3-5-21(17-27)33-29-13-9-23(35-29)19-25-11-15-31(37-25)34(22-6-4-8-28(18-22)40-2)32-16-12-26(38-32)20-24-10-14-30(33)36-24/h3-20,35-36H,1-2H3/b23-19-,24-20-,25-19-,26-20-,33-29-,33-30-,34-31-,34-32-
InChIKeyNNDCXPSSBWOSNZ-QXMHVHRDSA-N
MW522.61 g/mol
LogP8.01
Rot. Bonds4

About 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin

5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin (PubChem CID 11642161) has the molecular formula C34H26N4O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
PubChem CID11642161
Molecular FormulaC34H26N4O2
Molecular Weight522.61 g/mol
Exact Mass522.21
IUPAC Name5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
SMILESCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OC)c4)c4ccc(cc5nc2C=C5)[nH]4)C=C3)c1
InChIInChI=1S/C34H26N4O2/c1-39-27-7-3-5-21(17-27)33-29-13-9-23(35-29)19-25-11-15-31(37-25)34(22-6-4-8-28(18-22)40-2)32-16-12-26(38-32)20-24-10-14-30(33)36-24/h3-20,35-36H,1-2H3/b23-19-,24-20-,25-19-,26-20-,33-29-,33-30-,34-31-,34-32-
InChIKeyNNDCXPSSBWOSNZ-QXMHVHRDSA-N
XLogP8.01
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[10,20-bis(3-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]ethynyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 71747612
4-[15-[4-(4-methoxyanilino)phenyl]-21,22-dihydroporphyrin-5-yl]-N-(4-methoxyphenyl)aniline
CID 10908866
5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin
CID 136798646
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
8,18-bis(3-methoxyphenyl)-27,37-bis(4-methylphenyl)-13-phenyl-20,25,41,42,43,46,47,48-octazadodecacyclo[36.2.1.14,7.19,12.114,17.119,22.123,26.128,31.133,36.02,24.03,21.05,40]octatetraconta-1,3(21),4,6,8,10,12(47),13,15,17,19,22(45),23,26(44),27,29,31(43),32,34,36,38(41),39-docosaene
CID 102101174
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)phenoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]phenyl]azanium diiodide
CID 11766527
5,15-bis(2,6-dimethylphenyl)-21,22-dihydroporphyrin
CID 163359228
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin
CID 101228762
5-(3,5-dimethoxyphenyl)-15-hexyl-21,22-dihydroporphyrin
CID 86056630

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin?
The IUPAC name of 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin (CID 11642161) is 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin?
The canonical SMILES for 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin is COc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OC)c4)c4ccc(cc5nc2C=C5)[nH]4)C=C3)c1.
What is the InChIKey of 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin?
The InChIKey is NNDCXPSSBWOSNZ-QXMHVHRDSA-N. The full InChI is InChI=1S/C34H26N4O2/c1-39-27-7-3-5-21(17-27)33-29-13-9-23(35-29)19-25-11-15-31(37-25)34(22-6-4-8-28(18-22)40-2)32-16-12-26(38-32)20-24-10-14-30(33)36-24/h3-20,35-36H,1-2H3/b23-19-,24-20-,25-19-,26-20-,33-29-,33-30-,34-31-,34-32-.
What are the key properties of 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin?
5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin has a molecular weight of 522.61 g/mol, XLogP of 8.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 11642161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).