5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin

C30H26N4O — CID 102450798

IUPAC5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin
SMILESCOc1ccc(-c2c3ccc([nH]3)c(C)c3nc(c(C)c4nc(c(C)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C30H26N4O/c1-17-22-9-11-24(31-22)18(2)26-13-15-28(33-26)30(20-5-7-21(35-4)8-6-20)29-16-14-27(34-29)19(3)25-12-10-23(17)32-25/h5-16,33-34H,1-4H3/b22-17-,23-17-,24-18-,25-19-,26-18-,27-19-,30-28-,30-29-
InChIKeyIOHOQUQELGMYSI-WLCYTWJVSA-N
MW458.57 g/mol
LogP7.26
Rot. Bonds2

About 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin

5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin (PubChem CID 102450798) has the molecular formula C30H26N4O and a molecular weight of 458.57 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin
PubChem CID102450798
Molecular FormulaC30H26N4O
Molecular Weight458.57 g/mol
Exact Mass458.21
IUPAC Name5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin
SMILESCOc1ccc(-c2c3ccc([nH]3)c(C)c3nc(c(C)c4nc(c(C)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C30H26N4O/c1-17-22-9-11-24(31-22)18(2)26-13-15-28(33-26)30(20-5-7-21(35-4)8-6-20)29-16-14-27(34-29)19(3)25-12-10-23(17)32-25/h5-16,33-34H,1-4H3/b22-17-,23-17-,24-18-,25-19-,26-18-,27-19-,30-28-,30-29-
InChIKeyIOHOQUQELGMYSI-WLCYTWJVSA-N
XLogP7.26
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
iron;4-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175729519
5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 136729112
4-[20-(4-methoxyphenyl)-10,15-bis(4-sulfonatophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate
CID 136803851
10,15,20-tris(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11585878
5-(4-isothiocyanatophenyl)-10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 136748465
5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 136703562
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
5,15-bis(4-methoxyphenyl)-10,20-bis(4-nitrophenyl)-21,23-dihydroporphyrin
CID 135496782
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 135447688

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin?
The IUPAC name of 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin (CID 102450798) is 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin.
What is the SMILES notation for 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin?
The canonical SMILES for 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin is COc1ccc(-c2c3ccc([nH]3)c(C)c3nc(c(C)c4nc(c(C)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin?
The InChIKey is IOHOQUQELGMYSI-WLCYTWJVSA-N. The full InChI is InChI=1S/C30H26N4O/c1-17-22-9-11-24(31-22)18(2)26-13-15-28(33-26)30(20-5-7-21(35-4)8-6-20)29-16-14-27(34-29)19(3)25-12-10-23(17)32-25/h5-16,33-34H,1-4H3/b22-17-,23-17-,24-18-,25-19-,26-18-,27-19-,30-28-,30-29-.
What are the key properties of 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin?
5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin has a molecular weight of 458.57 g/mol, XLogP of 7.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin is sourced from PubChem (CID 102450798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).