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

C25H24N2 — CID 25172395

IUPAC1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESc1ccc(CC(c2ccccc2)C2NCCc3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C25H24N2/c1-3-9-18(10-4-1)17-22(19-11-5-2-6-12-19)24-25-21(15-16-26-24)20-13-7-8-14-23(20)27-25/h1-14,22,24,26-27H,15-17H2
InChIKeyFLQQOMUTMDMFEV-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.38
Rot. Bonds4

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

1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 25172395) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID25172395
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESc1ccc(CC(c2ccccc2)C2NCCc3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C25H24N2/c1-3-9-18(10-4-1)17-22(19-11-5-2-6-12-19)24-25-21(15-16-26-24)20-13-7-8-14-23(20)27-25/h1-14,22,24,26-27H,15-17H2
InChIKeyFLQQOMUTMDMFEV-UHFFFAOYSA-N
XLogP5.38
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 7262088
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 6419924
1-phenyl-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-one;hydrochloride
CID 11772200
benzyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate;hydrochloride
CID 141158550
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 697981
1-ethynyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 14946832
N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
CID 10014060
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride
CID 132585352
(1R)-1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 6938357
(1S)-1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 1134278
tert-butyl (4S)-4-(phenylmethoxycarbonylamino)-4-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]butanoate
CID 101025868
ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 25172395) is 1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is c1ccc(CC(c2ccccc2)C2NCCc3c2[nH]c2ccccc32)cc1.
What is the InChIKey of 1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is FLQQOMUTMDMFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-3-9-18(10-4-1)17-22(19-11-5-2-6-12-19)24-25-21(15-16-26-24)20-13-7-8-14-23(20)27-25/h1-14,22,24,26-27H,15-17H2.
What are the key properties of 1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 352.48 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 25172395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).