2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole

C21H21N — CID 71122817

IUPAC2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole
SMILESCC(C)n1c(-c2ccccc2)cc2c1CCc1ccccc1-2
InChIInChI=1S/C21H21N/c1-15(2)22-20-13-12-16-8-6-7-11-18(16)19(20)14-21(22)17-9-4-3-5-10-17/h3-11,14-15H,12-13H2,1-2H3
InChIKeyHDDKKPUSTOKINJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.50
Rot. Bonds2

About 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole

2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole (PubChem CID 71122817) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole.

Molecular Properties

Compound Name2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole
PubChem CID71122817
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole
SMILESCC(C)n1c(-c2ccccc2)cc2c1CCc1ccccc1-2
InChIInChI=1S/C21H21N/c1-15(2)22-20-13-12-16-8-6-7-11-18(16)19(20)14-21(22)17-9-4-3-5-10-17/h3-11,14-15H,12-13H2,1-2H3
InChIKeyHDDKKPUSTOKINJ-UHFFFAOYSA-N
XLogP5.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 122229029
2-phenyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indole
CID 10273044
4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)butanoic acid
CID 59214616
4-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzamide
CID 10155681
1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone
CID 58270650
9,10-dihydrophenanthrene;ethane
CID 143759681
5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid
CID 59214695
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2-phenyl-3-[3-(2H-tetrazol-5-yl)cyclohexa-2,4-dien-1-yl]-4,5-dihydrobenzo[e]indole
CID 143214477
4-amino-6-phenyl-1-propan-2-ylpyridin-2-one
CID 105485844
[3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol
CID 14770459

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole?
The IUPAC name of 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole (CID 71122817) is 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole.
What is the SMILES notation for 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole?
The canonical SMILES for 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole is CC(C)n1c(-c2ccccc2)cc2c1CCc1ccccc1-2.
What is the InChIKey of 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole?
The InChIKey is HDDKKPUSTOKINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-15(2)22-20-13-12-16-8-6-7-11-18(16)19(20)14-21(22)17-9-4-3-5-10-17/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole?
2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole has a molecular weight of 287.41 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole is sourced from PubChem (CID 71122817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).