1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline

C30H26N2 — CID 135001280

IUPAC1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(-n2cc(C3c4ccccc4CCN3c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C30H26N2/c1-22-15-17-25(18-16-22)32-21-28(27-13-7-8-14-29(27)32)30-26-12-6-5-9-23(26)19-20-31(30)24-10-3-2-4-11-24/h2-18,21,30H,19-20H2,1H3
InChIKeyHUDQRFOZPSJGNR-UHFFFAOYSA-N
MW414.55 g/mol
LogP7.09
Rot. Bonds3

About 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline

1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 135001280) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID135001280
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(-n2cc(C3c4ccccc4CCN3c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C30H26N2/c1-22-15-17-25(18-16-22)32-21-28(27-13-7-8-14-29(27)32)30-26-12-6-5-9-23(26)19-20-31(30)24-10-3-2-4-11-24/h2-18,21,30H,19-20H2,1H3
InChIKeyHUDQRFOZPSJGNR-UHFFFAOYSA-N
XLogP7.09
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 23568852
2-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-1-carbaldehyde
CID 174775577
2-(4-methylphenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 134951940
1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone
CID 102390710
1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 146165240
2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium
CID 59396688
1-(4-methylphenyl)-3-(1-phenylpropyl)indole
CID 102391084
1-(2-chlorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 3024613
1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 156774963
2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol
CID 175094340
3-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-enal
CID 54113380
(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 92953927

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 135001280) is 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline is Cc1ccc(-n2cc(C3c4ccccc4CCN3c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HUDQRFOZPSJGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2/c1-22-15-17-25(18-16-22)32-21-28(27-13-7-8-14-29(27)32)30-26-12-6-5-9-23(26)19-20-31(30)24-10-3-2-4-11-24/h2-18,21,30H,19-20H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline?
1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 414.55 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)indol-3-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 135001280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).