ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole

C24H22N2 — CID 91030329

IUPACethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
SMILESCC.c1ccc2c(c1)CC(c1ccc(C3=Nc4ccccc4C3)cc1)=N2
InChIInChI=1S/C22H16N2.C2H6/c1-3-7-19-17(5-1)13-21(23-19)15-9-11-16(12-10-15)22-14-18-6-2-4-8-20(18)24-22;1-2/h1-12H,13-14H2;1-2H3
InChIKeyKQCQBXVZYZQODP-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.07
Rot. Bonds2

About ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole

ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole (PubChem CID 91030329) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole.

Molecular Properties

Compound Nameethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
PubChem CID91030329
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Nameethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
SMILESCC.c1ccc2c(c1)CC(c1ccc(C3=Nc4ccccc4C3)cc1)=N2
InChIInChI=1S/C22H16N2.C2H6/c1-3-7-19-17(5-1)13-21(23-19)15-9-11-16(12-10-15)22-14-18-6-2-4-8-20(18)24-22;1-2/h1-12H,13-14H2;1-2H3
InChIKeyKQCQBXVZYZQODP-UHFFFAOYSA-N
XLogP6.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;ethane;2-phenyl-3H-indole
CID 91573421
3-(3H-indol-2-yl)-5,11-diphenylindolo[3,2-b]carbazole
CID 159892613
3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole
CID 161289736
2-(2,5-dimethylphenyl)-3H-indole
CID 118351581
6-tert-butyl-2-phenyl-3H-indole
CID 118318358
2-(3H-pyrrol-2-yl)-3H-indole
CID 58491277
2-(4-bromophenyl)-3H-benzo[de]quinoline
CID 58370913
2-fluoro-3H-indole
CID 174790270
CID 20813056
CID 20813056
5-chloro-2-phenyl-3H-indole
CID 12835738
CID 174027584
CID 174027584
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole?
The IUPAC name of ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole (CID 91030329) is ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole.
What is the SMILES notation for ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole?
The canonical SMILES for ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole is CC.c1ccc2c(c1)CC(c1ccc(C3=Nc4ccccc4C3)cc1)=N2.
What is the InChIKey of ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole?
The InChIKey is KQCQBXVZYZQODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2.C2H6/c1-3-7-19-17(5-1)13-21(23-19)15-9-11-16(12-10-15)22-14-18-6-2-4-8-20(18)24-22;1-2/h1-12H,13-14H2;1-2H3.
What are the key properties of ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole?
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole has a molecular weight of 338.45 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole is sourced from PubChem (CID 91030329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).