N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide

C46H33N5O — CID 136642660

IUPACN-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
SMILESCNC(=O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H33N5O/c1-47-46(52)33-19-17-32(18-20-33)45-40-27-25-38(50-40)43(30-13-7-3-8-14-30)36-23-21-34(48-36)42(29-11-5-2-6-12-29)35-22-24-37(49-35)44(31-15-9-4-10-16-31)39-26-28-41(45)51-39/h2-28,48,51H,1H3,(H,47,52)/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
InChIKeyASJSJDDWDIISKV-HIXPDHBDSA-N
MW671.80 g/mol
LogP10.68
Rot. Bonds5

About N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide

N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide (PubChem CID 136642660) has the molecular formula C46H33N5O and a molecular weight of 671.80 g/mol. Its IUPAC name is N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
PubChem CID136642660
Molecular FormulaC46H33N5O
Molecular Weight671.80 g/mol
Exact Mass671.27
IUPAC NameN-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
SMILESCNC(=O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H33N5O/c1-47-46(52)33-19-17-32(18-20-33)45-40-27-25-38(50-40)43(30-13-7-3-8-14-30)36-23-21-34(48-36)42(29-11-5-2-6-12-29)35-22-24-37(49-35)44(31-15-9-4-10-16-31)39-26-28-41(45)51-39/h2-28,48,51H,1H3,(H,47,52)/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
InChIKeyASJSJDDWDIISKV-HIXPDHBDSA-N
XLogP10.68
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.80
LogP ≤ 510.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
methyl 4-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)benzoate
CID 171991341
4-(5,15-diphenyl-22,23-dihydro-21H-corrin-10-yl)benzoic acid
CID 136902021
4-[10,20-bis(4-tert-butylphenyl)-15-(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 137211640
N-[4-[10,15,20-tris(1-methylpyridin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]benzamide
CID 135530790
N-(2-aminoethyl)-4-[10,15,20-tris[4-(2-aminoethylcarbamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzamide
CID 135430515
S-[4-[15-(4-acetylsulfanylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenyl] ethanethioate
CID 136717588
CID 175208777
CID 175208777
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
CID 135449311
4-[10-(4-carboxyphenyl)-15,20-bis(4-ethynylphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136672732
N-(1,3-dihydroxypropan-2-yl)-4-[10,15,20-tris[4-(1,3-dihydroxypropan-2-ylcarbamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzamide
CID 135431105
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide?
The IUPAC name of N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide (CID 136642660) is N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide.
What is the SMILES notation for N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide?
The canonical SMILES for N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide is CNC(=O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide?
The InChIKey is ASJSJDDWDIISKV-HIXPDHBDSA-N. The full InChI is InChI=1S/C46H33N5O/c1-47-46(52)33-19-17-32(18-20-33)45-40-27-25-38(50-40)43(30-13-7-3-8-14-30)36-23-21-34(48-36)42(29-11-5-2-6-12-29)35-22-24-37(49-35)44(31-15-9-4-10-16-31)39-26-28-41(45)51-39/h2-28,48,51H,1H3,(H,47,52)/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-.
What are the key properties of N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide?
N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide has a molecular weight of 671.80 g/mol, XLogP of 10.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide is sourced from PubChem (CID 136642660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).