2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide

C38H28N4O2 — CID 142280463

IUPAC2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide
SMILESCc1cc(C#N)ccc1-c1ccc2c(c1)c1cc(-c3ccc(C#N)cc3C)ccc1n2-c1cccc(C=O)c1C(=O)N(C)C
InChIInChI=1S/C38H28N4O2/c1-23-16-25(20-39)8-12-30(23)27-10-14-34-32(18-27)33-19-28(31-13-9-26(21-40)17-24(31)2)11-15-35(33)42(34)36-7-5-6-29(22-43)37(36)38(44)41(3)4/h5-19,22H,1-4H3
InChIKeyYKGHHNRMHTYGCX-UHFFFAOYSA-N
MW572.67 g/mol
LogP7.99
Rot. Bonds5

About 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide

2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide (PubChem CID 142280463) has the molecular formula C38H28N4O2 and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide
PubChem CID142280463
Molecular FormulaC38H28N4O2
Molecular Weight572.67 g/mol
Exact Mass572.22
IUPAC Name2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide
SMILESCc1cc(C#N)ccc1-c1ccc2c(c1)c1cc(-c3ccc(C#N)cc3C)ccc1n2-c1cccc(C=O)c1C(=O)N(C)C
InChIInChI=1S/C38H28N4O2/c1-23-16-25(20-39)8-12-30(23)27-10-14-34-32(18-27)33-19-28(31-13-9-26(21-40)17-24(31)2)11-15-35(33)42(34)36-7-5-6-29(22-43)37(36)38(44)41(3)4/h5-19,22H,1-4H3
InChIKeyYKGHHNRMHTYGCX-UHFFFAOYSA-N
XLogP7.99
TPSA89.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 57.99
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-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
CID 142280782
2,4-bis[6-(4-cyano-2-methylphenyl)-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-5-methylbenzonitrile
CID 134239927
4-[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-methylbenzonitrile
CID 158124936
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]-3-methylbenzonitrile
CID 146734854
2-[4,5-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-N-formyl-6-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 142280582
4-[3-[4-cyano-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 162088321
4-[4-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]-3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile
CID 162073554
4-[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile
CID 161184541
4-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile
CID 158238706
ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile
CID 142280577
4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]benzonitrile
CID 139526356
4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile
CID 122435781

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide?
The IUPAC name of 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide (CID 142280463) is 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide?
The canonical SMILES for 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide is Cc1cc(C#N)ccc1-c1ccc2c(c1)c1cc(-c3ccc(C#N)cc3C)ccc1n2-c1cccc(C=O)c1C(=O)N(C)C.
What is the InChIKey of 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide?
The InChIKey is YKGHHNRMHTYGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4O2/c1-23-16-25(20-39)8-12-30(23)27-10-14-34-32(18-27)33-19-28(31-13-9-26(21-40)17-24(31)2)11-15-35(33)42(34)36-7-5-6-29(22-43)37(36)38(44)41(3)4/h5-19,22H,1-4H3.
What are the key properties of 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide?
2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide has a molecular weight of 572.67 g/mol, XLogP of 7.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(4-cyano-2-methylphenyl)carbazol-9-yl]-6-formyl-N,N-dimethylbenzamide is sourced from PubChem (CID 142280463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).