9-(2-phenylethyl)pyrido[3,4-b]indole

C19H16N2 — CID 162417840

IUPAC9-(2-phenylethyl)pyrido[3,4-b]indole
SMILESc1ccc(CCn2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C19H16N2/c1-2-6-15(7-3-1)11-13-21-18-9-5-4-8-16(18)17-10-12-20-14-19(17)21/h1-10,12,14H,11,13H2
InChIKeyMCPRSRMRWSYGJU-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.43
Rot. Bonds3

About 9-(2-phenylethyl)pyrido[3,4-b]indole

9-(2-phenylethyl)pyrido[3,4-b]indole (PubChem CID 162417840) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 9-(2-phenylethyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(2-phenylethyl)pyrido[3,4-b]indole
PubChem CID162417840
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name9-(2-phenylethyl)pyrido[3,4-b]indole
SMILESc1ccc(CCn2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C19H16N2/c1-2-6-15(7-3-1)11-13-21-18-9-5-4-8-16(18)17-10-12-20-14-19(17)21/h1-10,12,14H,11,13H2
InChIKeyMCPRSRMRWSYGJU-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyrido[3,4-b]indol-9-ylpropanenitrile
CID 91665992
3-[(2-pyrido[3,4-b]indol-9-ylethylamino)methyl]benzoic acid
CID 139211454
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321459
9-prop-2-enylpyrido[3,4-b]indole
CID 53258041
3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one
CID 174549736
9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321511
5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
CID 122186419
9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole
CID 159979845
9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
CID 86059681
N-(pyrido[3,4-b]indol-9-ylmethyl)benzenecarbothioamide
CID 88968342
1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 70318245
2,2-dimethyl-3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid
CID 101399148

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylethyl)pyrido[3,4-b]indole?
The IUPAC name of 9-(2-phenylethyl)pyrido[3,4-b]indole (CID 162417840) is 9-(2-phenylethyl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-(2-phenylethyl)pyrido[3,4-b]indole?
The canonical SMILES for 9-(2-phenylethyl)pyrido[3,4-b]indole is c1ccc(CCn2c3ccccc3c3ccncc32)cc1.
What is the InChIKey of 9-(2-phenylethyl)pyrido[3,4-b]indole?
The InChIKey is MCPRSRMRWSYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-2-6-15(7-3-1)11-13-21-18-9-5-4-8-16(18)17-10-12-20-14-19(17)21/h1-10,12,14H,11,13H2.
What are the key properties of 9-(2-phenylethyl)pyrido[3,4-b]indole?
9-(2-phenylethyl)pyrido[3,4-b]indole has a molecular weight of 272.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylethyl)pyrido[3,4-b]indole is sourced from PubChem (CID 162417840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).