2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide

C55H38N4O2 — CID 134235077

IUPAC2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
SMILESCc1cccc(-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)c1C(=O)N(C=O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C55H38N4O2/c1-37-12-11-19-52(59-50-22-20-43(39-24-28-56-29-25-39)32-48(50)49-33-44(21-23-51(49)59)40-26-30-57-31-27-40)53(37)55(61)58(36-60)54-46(41-15-7-3-8-16-41)34-45(38-13-5-2-6-14-38)35-47(54)42-17-9-4-10-18-42/h2-36H,1H3
InChIKeyABRUEYYNOAZNKT-UHFFFAOYSA-N
MW786.94 g/mol
LogP13.02
Rot. Bonds9

About 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide

2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide (PubChem CID 134235077) has the molecular formula C55H38N4O2 and a molecular weight of 786.94 g/mol. Its IUPAC name is 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide.

Molecular Properties

Compound Name2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
PubChem CID134235077
Molecular FormulaC55H38N4O2
Molecular Weight786.94 g/mol
Exact Mass786.30
IUPAC Name2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
SMILESCc1cccc(-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)c1C(=O)N(C=O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C55H38N4O2/c1-37-12-11-19-52(59-50-22-20-43(39-24-28-56-29-25-39)32-48(50)49-33-44(21-23-51(49)59)40-26-30-57-31-27-40)53(37)55(61)58(36-60)54-46(41-15-7-3-8-16-41)34-45(38-13-5-2-6-14-38)35-47(54)42-17-9-4-10-18-42/h2-36H,1H3
InChIKeyABRUEYYNOAZNKT-UHFFFAOYSA-N
XLogP13.02
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.94
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide
CID 166989510
2-[1,8-bis(6-cyano-2-pyridinyl)carbazol-9-yl]-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 134234895
2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide
CID 142280856
2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
CID 142280782
2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-formyl-N-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 166989590
3,6-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 138579171
4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234312
2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
CID 166989464
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241213

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide?
The IUPAC name of 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide (CID 134235077) is 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide.
What is the SMILES notation for 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide?
The canonical SMILES for 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide is Cc1cccc(-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)c1C(=O)N(C=O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide?
The InChIKey is ABRUEYYNOAZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4O2/c1-37-12-11-19-52(59-50-22-20-43(39-24-28-56-29-25-39)32-48(50)49-33-44(21-23-51(49)59)40-26-30-57-31-27-40)53(37)55(61)58(36-60)54-46(41-15-7-3-8-16-41)34-45(38-13-5-2-6-14-38)35-47(54)42-17-9-4-10-18-42/h2-36H,1H3.
What are the key properties of 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide?
2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide has a molecular weight of 786.94 g/mol, XLogP of 13.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide is sourced from PubChem (CID 134235077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).