ethane;3-ethyl-2-methyl-1,6-diphenylindole

C25H27N — CID 145389068

IUPACethane;3-ethyl-2-methyl-1,6-diphenylindole
SMILESCC.CCc1c(C)n(-c2ccccc2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C23H21N.C2H6/c1-3-21-17(2)24(20-12-8-5-9-13-20)23-16-19(14-15-22(21)23)18-10-6-4-7-11-18;1-2/h4-16H,3H2,1-2H3;1-2H3
InChIKeyGYBXVQGDAAJRNP-UHFFFAOYSA-N
MW341.50 g/mol
LogP7.19
Rot. Bonds3

About ethane;3-ethyl-2-methyl-1,6-diphenylindole

ethane;3-ethyl-2-methyl-1,6-diphenylindole (PubChem CID 145389068) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is ethane;3-ethyl-2-methyl-1,6-diphenylindole.

Molecular Properties

Compound Nameethane;3-ethyl-2-methyl-1,6-diphenylindole
PubChem CID145389068
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Nameethane;3-ethyl-2-methyl-1,6-diphenylindole
SMILESCC.CCc1c(C)n(-c2ccccc2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C23H21N.C2H6/c1-3-21-17(2)24(20-12-8-5-9-13-20)23-16-19(14-15-22(21)23)18-10-6-4-7-11-18;1-2/h4-16H,3H2,1-2H3;1-2H3
InChIKeyGYBXVQGDAAJRNP-UHFFFAOYSA-N
XLogP7.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2-methyl-1,6-diphenylindole?
The IUPAC name of ethane;3-ethyl-2-methyl-1,6-diphenylindole (CID 145389068) is ethane;3-ethyl-2-methyl-1,6-diphenylindole.
What is the SMILES notation for ethane;3-ethyl-2-methyl-1,6-diphenylindole?
The canonical SMILES for ethane;3-ethyl-2-methyl-1,6-diphenylindole is CC.CCc1c(C)n(-c2ccccc2)c2cc(-c3ccccc3)ccc12.
What is the InChIKey of ethane;3-ethyl-2-methyl-1,6-diphenylindole?
The InChIKey is GYBXVQGDAAJRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N.C2H6/c1-3-21-17(2)24(20-12-8-5-9-13-20)23-16-19(14-15-22(21)23)18-10-6-4-7-11-18;1-2/h4-16H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-2-methyl-1,6-diphenylindole?
ethane;3-ethyl-2-methyl-1,6-diphenylindole has a molecular weight of 341.50 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2-methyl-1,6-diphenylindole is sourced from PubChem (CID 145389068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).