3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone

C30H28N2O — CID 20886158

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C30H28N2O/c33-30(31-19-18-22-8-4-5-12-26(22)21-31)24-14-16-27(17-15-24)32-28-13-7-6-11-25(28)20-29(32)23-9-2-1-3-10-23/h1-5,8-10,12,14-17,20H,6-7,11,13,18-19,21H2
InChIKeyYNTIZKCPYFYUOU-UHFFFAOYSA-N
MW432.57 g/mol
LogP6.22
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone (PubChem CID 20886158) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone
PubChem CID20886158
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C30H28N2O/c33-30(31-19-18-22-8-4-5-12-26(22)21-31)24-14-16-27(17-15-24)32-28-13-7-6-11-25(28)20-29(32)23-9-2-1-3-10-23/h1-5,8-10,12,14-17,20H,6-7,11,13,18-19,21H2
InChIKeyYNTIZKCPYFYUOU-UHFFFAOYSA-N
XLogP6.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)phenyl]methanone
CID 46272451
4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 22521987
4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid
CID 59214556
4-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid
CID 53212875
4-[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]benzoic acid
CID 53212873
N-[(4-fluorophenyl)methyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522080
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone
CID 35396832

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone (CID 20886158) is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone is O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone?
The InChIKey is YNTIZKCPYFYUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O/c33-30(31-19-18-22-8-4-5-12-26(22)21-31)24-14-16-27(17-15-24)32-28-13-7-6-11-25(28)20-29(32)23-9-2-1-3-10-23/h1-5,8-10,12,14-17,20H,6-7,11,13,18-19,21H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone has a molecular weight of 432.57 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone is sourced from PubChem (CID 20886158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).