N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide

C39H27N5O — CID 11319668

IUPACN-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide
SMILESO=C(Nc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2)c1ccccc1
InChIInChI=1S/C39H27N5O/c45-39(27-14-8-3-9-15-27)44-38-34-22-20-32(42-34)36(25-10-4-1-5-11-25)30-18-16-28(40-30)24-29-17-19-31(41-29)37(26-12-6-2-7-13-26)33-21-23-35(38)43-33/h1-24,40-41H,(H,44,45)/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34+,38-35+
InChIKeyRNXFGIACOOCYMD-XUVRQDEZSA-N
MW581.68 g/mol
LogP9.24
Rot. Bonds4

About N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide

N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide (PubChem CID 11319668) has the molecular formula C39H27N5O and a molecular weight of 581.68 g/mol. Its IUPAC name is N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide.

Molecular Properties

Compound NameN-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide
PubChem CID11319668
Molecular FormulaC39H27N5O
Molecular Weight581.68 g/mol
Exact Mass581.22
IUPAC NameN-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide
SMILESO=C(Nc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2)c1ccccc1
InChIInChI=1S/C39H27N5O/c45-39(27-14-8-3-9-15-27)44-38-34-22-20-32(42-34)36(25-10-4-1-5-11-25)30-18-16-28(40-30)24-29-17-19-31(41-29)37(26-12-6-2-7-13-26)33-21-23-35(38)43-33/h1-24,40-41H,(H,44,45)/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34+,38-35+
InChIKeyRNXFGIACOOCYMD-XUVRQDEZSA-N
XLogP9.24
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.68
LogP ≤ 59.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate
CID 11364625
N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide
CID 11467287
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide
CID 101434636
N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
CID 136642660
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
CID 11497978
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-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
CID 10769334
N-[4-[10,15,20-tris(1-methylpyridin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]benzamide
CID 135530790
2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide
CID 136732190
15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin
CID 70656299

Frequently Asked Questions

What is the IUPAC name of N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide?
The IUPAC name of N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide (CID 11319668) is N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide.
What is the SMILES notation for N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide?
The canonical SMILES for N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide is O=C(Nc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2)c1ccccc1.
What is the InChIKey of N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide?
The InChIKey is RNXFGIACOOCYMD-XUVRQDEZSA-N. The full InChI is InChI=1S/C39H27N5O/c45-39(27-14-8-3-9-15-27)44-38-34-22-20-32(42-34)36(25-10-4-1-5-11-25)30-18-16-28(40-30)24-29-17-19-31(41-29)37(26-12-6-2-7-13-26)33-21-23-35(38)43-33/h1-24,40-41H,(H,44,45)/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34+,38-35+.
What are the key properties of N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide?
N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide has a molecular weight of 581.68 g/mol, XLogP of 9.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide is sourced from PubChem (CID 11319668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).