2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide

C55H32N6O2 — CID 142280856

IUPAC2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide
SMILESCc1cccc(-n2c3cc(-c4cc(C#N)cc(C#N)c4)ccc3c3ccc(-c4cc(C#N)cc(C#N)c4)cc32)c1C(=O)N(C=O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C55H32N6O2/c1-35-9-8-14-51(54(35)55(63)60(34-62)48-26-46(40-10-4-2-5-11-40)25-47(27-48)41-12-6-3-7-13-41)61-52-28-42(44-21-36(30-56)19-37(22-44)31-57)15-17-49(52)50-18-16-43(29-53(50)61)45-23-38(32-58)20-39(24-45)33-59/h2-29,34H,1H3
InChIKeyYXLGIHCLDBNHJO-UHFFFAOYSA-N
MW808.90 g/mol
LogP12.05
Rot. Bonds8

About 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide

2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide (PubChem CID 142280856) has the molecular formula C55H32N6O2 and a molecular weight of 808.90 g/mol. Its IUPAC name is 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide.

Molecular Properties

Compound Name2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide
PubChem CID142280856
Molecular FormulaC55H32N6O2
Molecular Weight808.90 g/mol
Exact Mass808.26
IUPAC Name2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide
SMILESCc1cccc(-n2c3cc(-c4cc(C#N)cc(C#N)c4)ccc3c3ccc(-c4cc(C#N)cc(C#N)c4)cc32)c1C(=O)N(C=O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C55H32N6O2/c1-35-9-8-14-51(54(35)55(63)60(34-62)48-26-46(40-10-4-2-5-11-40)25-47(27-48)41-12-6-3-7-13-41)61-52-28-42(44-21-36(30-56)19-37(22-44)31-57)15-17-49(52)50-18-16-43(29-53(50)61)45-23-38(32-58)20-39(24-45)33-59/h2-29,34H,1H3
InChIKeyYXLGIHCLDBNHJO-UHFFFAOYSA-N
XLogP12.05
TPSA137.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.90
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
CID 166989455
2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
CID 166989505
2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 134235077
2-[1,8-bis(6-cyano-2-pyridinyl)carbazol-9-yl]-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 134234895
5-[7-(3,5-dicyanophenyl)-9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234699
2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377762
2-[4,5-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-N-formyl-6-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 142280582
5-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465799
4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 155646771
5-[9-[4-(4-cyanophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142577631
5-[9-[2-cyano-5-(3,5-dicyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 139538914
5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238063

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide?
The IUPAC name of 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide (CID 142280856) is 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide.
What is the SMILES notation for 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide?
The canonical SMILES for 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide is Cc1cccc(-n2c3cc(-c4cc(C#N)cc(C#N)c4)ccc3c3ccc(-c4cc(C#N)cc(C#N)c4)cc32)c1C(=O)N(C=O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide?
The InChIKey is YXLGIHCLDBNHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N6O2/c1-35-9-8-14-51(54(35)55(63)60(34-62)48-26-46(40-10-4-2-5-11-40)25-47(27-48)41-12-6-3-7-13-41)61-52-28-42(44-21-36(30-56)19-37(22-44)31-57)15-17-49(52)50-18-16-43(29-53(50)61)45-23-38(32-58)20-39(24-45)33-59/h2-29,34H,1H3.
What are the key properties of 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide?
2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide has a molecular weight of 808.90 g/mol, XLogP of 12.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide is sourced from PubChem (CID 142280856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).