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

C39H28N4O — CID 10603098

IUPAC15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5ccc([nH]5)c(-c5ccccc5)c5nc2C=C5)[nH]4)C=C3)cc1
InChIInChI=1S/C39H28N4O/c1-44-30-16-12-27(13-17-30)39-35-22-20-33(42-35)37(25-8-4-2-5-9-25)31-18-14-28(40-31)24-29-15-19-32(41-29)38(26-10-6-3-7-11-26)34-21-23-36(39)43-34/h2-24,40-41H,1H3/b28-24-,29-24-,37-31-,37-33-,38-32-,38-34-,39-35-,39-36-
InChIKeyJUGRYEAEXOEZMH-VDFCWUMKSA-N
MW568.68 g/mol
LogP9.67
Rot. Bonds4

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

15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin (PubChem CID 10603098) has the molecular formula C39H28N4O and a molecular weight of 568.68 g/mol. Its IUPAC name is 15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
PubChem CID10603098
Molecular FormulaC39H28N4O
Molecular Weight568.68 g/mol
Exact Mass568.23
IUPAC Name15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5ccc([nH]5)c(-c5ccccc5)c5nc2C=C5)[nH]4)C=C3)cc1
InChIInChI=1S/C39H28N4O/c1-44-30-16-12-27(13-17-30)39-35-22-20-33(42-35)37(25-8-4-2-5-9-25)31-18-14-28(40-31)24-29-15-19-32(41-29)38(26-10-6-3-7-11-26)34-21-23-36(39)43-34/h2-24,40-41H,1H3/b28-24-,29-24-,37-31-,37-33-,38-32-,38-34-,39-35-,39-36-
InChIKeyJUGRYEAEXOEZMH-VDFCWUMKSA-N
XLogP9.67
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 59.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
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
15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
CID 10769334
5-[2-[10,20-bis(3-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]ethynyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 71747612
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate
CID 11364625
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
4-[15-[4-(4-methoxyanilino)phenyl]-21,22-dihydroporphyrin-5-yl]-N-(4-methoxyphenyl)aniline
CID 10908866
5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 135447688
10,15,20-tris(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11585878
10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
CID 11497978
5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
CID 11642161

Frequently Asked Questions

What is the IUPAC name of 15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin?
The IUPAC name of 15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin (CID 10603098) is 15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin?
The canonical SMILES for 15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin is COc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5ccc([nH]5)c(-c5ccccc5)c5nc2C=C5)[nH]4)C=C3)cc1.
What is the InChIKey of 15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin?
The InChIKey is JUGRYEAEXOEZMH-VDFCWUMKSA-N. The full InChI is InChI=1S/C39H28N4O/c1-44-30-16-12-27(13-17-30)39-35-22-20-33(42-35)37(25-8-4-2-5-9-25)31-18-14-28(40-31)24-29-15-19-32(41-29)38(26-10-6-3-7-11-26)34-21-23-36(39)43-34/h2-24,40-41H,1H3/b28-24-,29-24-,37-31-,37-33-,38-32-,38-34-,39-35-,39-36-.
What are the key properties of 15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin?
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin has a molecular weight of 568.68 g/mol, XLogP of 9.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 10603098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).