6-phenyl-9H-pyrido[3,4-b]indole

C17H12N2 — CID 122607643

IUPAC6-phenyl-9H-pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc3[nH]c4cnccc4c3c2)cc1
InChIInChI=1S/C17H12N2/c1-2-4-12(5-3-1)13-6-7-16-15(10-13)14-8-9-18-11-17(14)19-16/h1-11,19H
InChIKeyWIPSJCIJFJGBPG-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.38
Rot. Bonds1

About 6-phenyl-9H-pyrido[3,4-b]indole

6-phenyl-9H-pyrido[3,4-b]indole (PubChem CID 122607643) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-phenyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-phenyl-9H-pyrido[3,4-b]indole
PubChem CID122607643
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name6-phenyl-9H-pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc3[nH]c4cnccc4c3c2)cc1
InChIInChI=1S/C17H12N2/c1-2-4-12(5-3-1)13-6-7-16-15(10-13)14-8-9-18-11-17(14)19-16/h1-11,19H
InChIKeyWIPSJCIJFJGBPG-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine
CID 167339450
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 144661360
9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 18671949
2-pyridin-3-yl-9H-carbazole
CID 175799429
1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid
CID 117383621
6-bromo-2-phenyl-9H-carbazole
CID 118493011
5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3741706
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 148886770
3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
CID 139504814
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-phenyl-9H-pyrido[3,4-b]indole (CID 122607643) is 6-phenyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-phenyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-phenyl-9H-pyrido[3,4-b]indole is c1ccc(-c2ccc3[nH]c4cnccc4c3c2)cc1.
What is the InChIKey of 6-phenyl-9H-pyrido[3,4-b]indole?
The InChIKey is WIPSJCIJFJGBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-4-12(5-3-1)13-6-7-16-15(10-13)14-8-9-18-11-17(14)19-16/h1-11,19H.
What are the key properties of 6-phenyl-9H-pyrido[3,4-b]indole?
6-phenyl-9H-pyrido[3,4-b]indole has a molecular weight of 244.30 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 122607643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).