2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide

C34H23N3O2 — CID 166989505

IUPAC2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
SMILESCc1cccc(-n2c3ccccc3c3cccc(C#N)c32)c1C(=O)N(C=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C34H23N3O2/c1-23-10-7-19-31(37-30-18-6-5-16-28(30)29-17-9-14-26(21-35)33(29)37)32(23)34(39)36(22-38)27-15-8-13-25(20-27)24-11-3-2-4-12-24/h2-20,22H,1H3
InChIKeyRSZDBICROHKHPF-UHFFFAOYSA-N
MW505.58 g/mol
LogP7.43
Rot. Bonds5

About 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide

2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide (PubChem CID 166989505) has the molecular formula C34H23N3O2 and a molecular weight of 505.58 g/mol. Its IUPAC name is 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide.

Molecular Properties

Compound Name2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
PubChem CID166989505
Molecular FormulaC34H23N3O2
Molecular Weight505.58 g/mol
Exact Mass505.18
IUPAC Name2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
SMILESCc1cccc(-n2c3ccccc3c3cccc(C#N)c32)c1C(=O)N(C=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C34H23N3O2/c1-23-10-7-19-31(37-30-18-6-5-16-28(30)29-17-9-14-26(21-35)33(29)37)32(23)34(39)36(22-38)27-15-8-13-25(20-27)24-11-3-2-4-12-24/h2-20,22H,1H3
InChIKeyRSZDBICROHKHPF-UHFFFAOYSA-N
XLogP7.43
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.58
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?
The IUPAC name of 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide (CID 166989505) is 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide.
What is the SMILES notation for 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?
The canonical SMILES for 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide is Cc1cccc(-n2c3ccccc3c3cccc(C#N)c32)c1C(=O)N(C=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?
The InChIKey is RSZDBICROHKHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O2/c1-23-10-7-19-31(37-30-18-6-5-16-28(30)29-17-9-14-26(21-35)33(29)37)32(23)34(39)36(22-38)27-15-8-13-25(20-27)24-11-3-2-4-12-24/h2-20,22H,1H3.
What are the key properties of 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?
2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide has a molecular weight of 505.58 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide is sourced from PubChem (CID 166989505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).