5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C23H20N2 — CID 142130689

IUPAC5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESc1ccc(-c2cccc(-c3cccc4[nH]c5c(c34)CCNC5)c2)cc1
InChIInChI=1S/C23H20N2/c1-2-6-16(7-3-1)17-8-4-9-18(14-17)19-10-5-11-21-23(19)20-12-13-24-15-22(20)25-21/h1-11,14,24-25H,12-13,15H2
InChIKeyJICLKTIBGKJANK-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.15
Rot. Bonds2

About 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 142130689) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID142130689
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESc1ccc(-c2cccc(-c3cccc4[nH]c5c(c34)CCNC5)c2)cc1
InChIInChI=1S/C23H20N2/c1-2-6-16(7-3-1)17-8-4-9-18(14-17)19-10-5-11-21-23(19)20-12-13-24-15-22(20)25-21/h1-11,14,24-25H,12-13,15H2
InChIKeyJICLKTIBGKJANK-UHFFFAOYSA-N
XLogP5.15
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 22397013
10-(3-methoxyphenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 22396621
10-(3,4-dichlorophenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 22396959
phenyl-(10-phenyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)methanone
CID 22396899
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
10-(4-propoxynaphthalen-2-yl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 91478492
9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 105442254
10-bromo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 142130624
4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121477925
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
4-phenyl-9H-carbazole
CID 22990274
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid
CID 83886993

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 142130689) is 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is c1ccc(-c2cccc(-c3cccc4[nH]c5c(c34)CCNC5)c2)cc1.
What is the InChIKey of 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is JICLKTIBGKJANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-2-6-16(7-3-1)17-8-4-9-18(14-17)19-10-5-11-21-23(19)20-12-13-24-15-22(20)25-21/h1-11,14,24-25H,12-13,15H2.
What are the key properties of 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 324.43 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 142130689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).