3,4-diphenyl-5H-pyrido[3,2-b]indole

C23H16N2 — CID 15355508

IUPAC3,4-diphenyl-5H-pyrido[3,2-b]indole
SMILESc1ccc(-c2cnc3c([nH]c4ccccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C23H16N2/c1-3-9-16(10-4-1)19-15-24-22-18-13-7-8-14-20(18)25-23(22)21(19)17-11-5-2-6-12-17/h1-15,25H
InChIKeyZXBYLKWUMZHTAJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.05
Rot. Bonds2

About 3,4-diphenyl-5H-pyrido[3,2-b]indole

3,4-diphenyl-5H-pyrido[3,2-b]indole (PubChem CID 15355508) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3,4-diphenyl-5H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name3,4-diphenyl-5H-pyrido[3,2-b]indole
PubChem CID15355508
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name3,4-diphenyl-5H-pyrido[3,2-b]indole
SMILESc1ccc(-c2cnc3c([nH]c4ccccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C23H16N2/c1-3-9-16(10-4-1)19-15-24-22-18-13-7-8-14-20(18)25-23(22)21(19)17-11-5-2-6-12-17/h1-15,25H
InChIKeyZXBYLKWUMZHTAJ-UHFFFAOYSA-N
XLogP6.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-5H-pyrido[3,2-b]indole?
The IUPAC name of 3,4-diphenyl-5H-pyrido[3,2-b]indole (CID 15355508) is 3,4-diphenyl-5H-pyrido[3,2-b]indole.
What is the SMILES notation for 3,4-diphenyl-5H-pyrido[3,2-b]indole?
The canonical SMILES for 3,4-diphenyl-5H-pyrido[3,2-b]indole is c1ccc(-c2cnc3c([nH]c4ccccc43)c2-c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-5H-pyrido[3,2-b]indole?
The InChIKey is ZXBYLKWUMZHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-3-9-16(10-4-1)19-15-24-22-18-13-7-8-14-20(18)25-23(22)21(19)17-11-5-2-6-12-17/h1-15,25H.
What are the key properties of 3,4-diphenyl-5H-pyrido[3,2-b]indole?
3,4-diphenyl-5H-pyrido[3,2-b]indole has a molecular weight of 320.40 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-5H-pyrido[3,2-b]indole is sourced from PubChem (CID 15355508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).