benzene;ethane;2-phenyl-3H-indole

C24H29N — CID 91573421

IUPACbenzene;ethane;2-phenyl-3H-indole
SMILESCC.CC.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccccc1
InChIInChI=1S/C14H11N.C6H6.2C2H6/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-2-4-6-5-3-1;2*1-2/h1-9H,10H2;1-6H;2*1-2H3
InChIKeyAJPWVJCDDXMTIC-UHFFFAOYSA-N
MW331.50 g/mol
LogP7.10
Rot. Bonds1

About benzene;ethane;2-phenyl-3H-indole

benzene;ethane;2-phenyl-3H-indole (PubChem CID 91573421) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is benzene;ethane;2-phenyl-3H-indole.

Molecular Properties

Compound Namebenzene;ethane;2-phenyl-3H-indole
PubChem CID91573421
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Namebenzene;ethane;2-phenyl-3H-indole
SMILESCC.CC.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccccc1
InChIInChI=1S/C14H11N.C6H6.2C2H6/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-2-4-6-5-3-1;2*1-2/h1-9H,10H2;1-6H;2*1-2H3
InChIKeyAJPWVJCDDXMTIC-UHFFFAOYSA-N
XLogP7.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
6-tert-butyl-2-phenyl-3H-indole
CID 118318358
5-chloro-2-phenyl-3H-indole
CID 12835738
2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole
CID 67402806
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
CID 71375212
3-(3H-indol-2-yl)-5,11-diphenylindolo[3,2-b]carbazole
CID 159892613
2-phenyl-4-(trichloromethyl)-3H-1,5-benzodiazepine
CID 139206499
2-phenyl-3H-pyrrolo[2,3-b]pyridine
CID 77231538
3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole
CID 161289736
ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole
CID 143815957
4-(3H-indol-2-yl)-N-methyl-N-(4-phenylphenyl)aniline;N-[4-(3H-indol-2-yl)phenyl]-N-methyl-2-phenylaniline;N-[4-(3H-indol-2-yl)phenyl]-N-methyl-3-phenylaniline;4-[3-(3H-indol-2-yl)phenyl]-N-methyl-N-phenylaniline
CID 158357708
2-(2,5-dimethylphenyl)-3H-indole
CID 118351581

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;2-phenyl-3H-indole?
The IUPAC name of benzene;ethane;2-phenyl-3H-indole (CID 91573421) is benzene;ethane;2-phenyl-3H-indole.
What is the SMILES notation for benzene;ethane;2-phenyl-3H-indole?
The canonical SMILES for benzene;ethane;2-phenyl-3H-indole is CC.CC.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccccc1.
What is the InChIKey of benzene;ethane;2-phenyl-3H-indole?
The InChIKey is AJPWVJCDDXMTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.C6H6.2C2H6/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-2-4-6-5-3-1;2*1-2/h1-9H,10H2;1-6H;2*1-2H3.
What are the key properties of benzene;ethane;2-phenyl-3H-indole?
benzene;ethane;2-phenyl-3H-indole has a molecular weight of 331.50 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;2-phenyl-3H-indole is sourced from PubChem (CID 91573421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).