2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide

C43H30N4O2 — CID 166989455

IUPAC2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
SMILESCc1cccc(-n2c3cc(-c4ccncc4)ccc3c3ccc(-c4ccncc4)cc32)c1C(=O)N(C=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C43H30N4O2/c1-29-7-5-12-39(42(29)43(49)46(28-48)36-11-6-10-33(25-36)30-8-3-2-4-9-30)47-40-26-34(31-17-21-44-22-18-31)13-15-37(40)38-16-14-35(27-41(38)47)32-19-23-45-24-20-32/h2-28H,1H3
InChIKeyOFOHWSIKBZROOW-UHFFFAOYSA-N
MW634.74 g/mol
LogP9.69
Rot. Bonds7

About 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide

2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide (PubChem CID 166989455) has the molecular formula C43H30N4O2 and a molecular weight of 634.74 g/mol. Its IUPAC name is 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide.

Molecular Properties

Compound Name2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
PubChem CID166989455
Molecular FormulaC43H30N4O2
Molecular Weight634.74 g/mol
Exact Mass634.24
IUPAC Name2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
SMILESCc1cccc(-n2c3cc(-c4ccncc4)ccc3c3ccc(-c4ccncc4)cc32)c1C(=O)N(C=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C43H30N4O2/c1-29-7-5-12-39(42(29)43(49)46(28-48)36-11-6-10-33(25-36)30-8-3-2-4-9-30)47-40-26-34(31-17-21-44-22-18-31)13-15-37(40)38-16-14-35(27-41(38)47)32-19-23-45-24-20-32/h2-28H,1H3
InChIKeyOFOHWSIKBZROOW-UHFFFAOYSA-N
XLogP9.69
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.74
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?
The IUPAC name of 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide (CID 166989455) is 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide.
What is the SMILES notation for 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?
The canonical SMILES for 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide is Cc1cccc(-n2c3cc(-c4ccncc4)ccc3c3ccc(-c4ccncc4)cc32)c1C(=O)N(C=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?
The InChIKey is OFOHWSIKBZROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4O2/c1-29-7-5-12-39(42(29)43(49)46(28-48)36-11-6-10-33(25-36)30-8-3-2-4-9-30)47-40-26-34(31-17-21-44-22-18-31)13-15-37(40)38-16-14-35(27-41(38)47)32-19-23-45-24-20-32/h2-28H,1H3.
What are the key properties of 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?
2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide has a molecular weight of 634.74 g/mol, XLogP of 9.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide is sourced from PubChem (CID 166989455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).