N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide

C32H25N3O — CID 66766352

IUPACN-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c3nc(-c4ccccc4-c4ccccc4)ccc3c2c1)c1ccccc1
InChIInChI=1S/C32H25N3O/c36-32(24-11-5-2-6-12-24)33-20-19-22-15-17-30-28(21-22)27-16-18-29(34-31(27)35-30)26-14-8-7-13-25(26)23-9-3-1-4-10-23/h1-18,21H,19-20H2,(H,33,36)(H,34,35)
InChIKeyQGOJHNPDIBPMHW-UHFFFAOYSA-N
MW467.57 g/mol
LogP7.02
Rot. Bonds6

About N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide

N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide (PubChem CID 66766352) has the molecular formula C32H25N3O and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
PubChem CID66766352
Molecular FormulaC32H25N3O
Molecular Weight467.57 g/mol
Exact Mass467.20
IUPAC NameN-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c3nc(-c4ccccc4-c4ccccc4)ccc3c2c1)c1ccccc1
InChIInChI=1S/C32H25N3O/c36-32(24-11-5-2-6-12-24)33-20-19-22-15-17-30-28(21-22)27-16-18-29(34-31(27)35-30)26-14-8-7-13-25(26)23-9-3-1-4-10-23/h1-18,21H,19-20H2,(H,33,36)(H,34,35)
InChIKeyQGOJHNPDIBPMHW-UHFFFAOYSA-N
XLogP7.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
The IUPAC name of N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide (CID 66766352) is N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide is O=C(NCCc1ccc2[nH]c3nc(-c4ccccc4-c4ccccc4)ccc3c2c1)c1ccccc1.
What is the InChIKey of N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
The InChIKey is QGOJHNPDIBPMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O/c36-32(24-11-5-2-6-12-24)33-20-19-22-15-17-30-28(21-22)27-16-18-29(34-31(27)35-30)26-14-8-7-13-25(26)23-9-3-1-4-10-23/h1-18,21H,19-20H2,(H,33,36)(H,34,35).
What are the key properties of N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide has a molecular weight of 467.57 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide is sourced from PubChem (CID 66766352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).