2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide

C53H40N2O2 — CID 166989464

IUPAC2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
SMILESCc1ccc(-c2cccc3c4cccc(-c5ccc(C)cc5)c4n(-c4cccc(C=O)c4C(=O)N(C)c4ccc(-c5ccccc5)cc4-c4ccccc4)c23)cc1
InChIInChI=1S/C53H40N2O2/c1-35-23-27-39(28-24-35)43-18-11-20-45-46-21-12-19-44(40-29-25-36(2)26-30-40)52(46)55(51(43)45)49-22-10-17-42(34-56)50(49)53(57)54(3)48-32-31-41(37-13-6-4-7-14-37)33-47(48)38-15-8-5-9-16-38/h4-34H,1-3H3
InChIKeyPMNMZHKNZVLCNW-UHFFFAOYSA-N
MW736.92 g/mol
LogP13.16
Rot. Bonds8

About 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide

2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide (PubChem CID 166989464) has the molecular formula C53H40N2O2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide.

Molecular Properties

Compound Name2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
PubChem CID166989464
Molecular FormulaC53H40N2O2
Molecular Weight736.92 g/mol
Exact Mass736.31
IUPAC Name2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
SMILESCc1ccc(-c2cccc3c4cccc(-c5ccc(C)cc5)c4n(-c4cccc(C=O)c4C(=O)N(C)c4ccc(-c5ccccc5)cc4-c4ccccc4)c23)cc1
InChIInChI=1S/C53H40N2O2/c1-35-23-27-39(28-24-35)43-18-11-20-45-46-21-12-19-44(40-29-25-36(2)26-30-40)52(46)55(51(43)45)49-22-10-17-42(34-56)50(49)53(57)54(3)48-32-31-41(37-13-6-4-7-14-37)33-47(48)38-15-8-5-9-16-38/h4-34H,1-3H3
InChIKeyPMNMZHKNZVLCNW-UHFFFAOYSA-N
XLogP13.16
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
CID 142280782
2-carbazol-9-yl-6-formyl-N-methyl-N-(2-phenylphenyl)benzamide
CID 134241115
2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-formyl-N-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 166989590
2-[1,8-bis(6-cyano-2-pyridinyl)carbazol-9-yl]-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 134234895
2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide
CID 142280555
2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 134235077
N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide
CID 166989510
2-formyl-6-phenylbenzoic acid
CID 18003803
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide
CID 142280463

Frequently Asked Questions

What is the IUPAC name of 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide?
The IUPAC name of 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide (CID 166989464) is 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide.
What is the SMILES notation for 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide?
The canonical SMILES for 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide is Cc1ccc(-c2cccc3c4cccc(-c5ccc(C)cc5)c4n(-c4cccc(C=O)c4C(=O)N(C)c4ccc(-c5ccccc5)cc4-c4ccccc4)c23)cc1.
What is the InChIKey of 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide?
The InChIKey is PMNMZHKNZVLCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2O2/c1-35-23-27-39(28-24-35)43-18-11-20-45-46-21-12-19-44(40-29-25-36(2)26-30-40)52(46)55(51(43)45)49-22-10-17-42(34-56)50(49)53(57)54(3)48-32-31-41(37-13-6-4-7-14-37)33-47(48)38-15-8-5-9-16-38/h4-34H,1-3H3.
What are the key properties of 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide?
2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide has a molecular weight of 736.92 g/mol, XLogP of 13.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide is sourced from PubChem (CID 166989464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).