1,2,3-triphenylbenzo[f]indole

C30H21N — CID 102138150

IUPAC1,2,3-triphenylbenzo[f]indole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C30H21N/c1-4-12-22(13-5-1)29-27-20-24-16-10-11-17-25(24)21-28(27)31(26-18-8-3-9-19-26)30(29)23-14-6-2-7-15-23/h1-21H
InChIKeyGBJAFGSIJHVXLF-UHFFFAOYSA-N
MW395.51 g/mol
LogP8.12
Rot. Bonds3

About 1,2,3-triphenylbenzo[f]indole

1,2,3-triphenylbenzo[f]indole (PubChem CID 102138150) has the molecular formula C30H21N and a molecular weight of 395.51 g/mol. Its IUPAC name is 1,2,3-triphenylbenzo[f]indole.

Molecular Properties

Compound Name1,2,3-triphenylbenzo[f]indole
PubChem CID102138150
Molecular FormulaC30H21N
Molecular Weight395.51 g/mol
Exact Mass395.17
IUPAC Name1,2,3-triphenylbenzo[f]indole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C30H21N/c1-4-12-22(13-5-1)29-27-20-24-16-10-11-17-25(24)21-28(27)31(26-18-8-3-9-19-26)30(29)23-14-6-2-7-15-23/h1-21H
InChIKeyGBJAFGSIJHVXLF-UHFFFAOYSA-N
XLogP8.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6,7,8,12,16,17,18-octakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131848
5,6-dimethyl-1,2,3-triphenylindole
CID 102138148
2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole
CID 59119015
N-naphthalen-2-yl-N-[4-[1-phenyl-2,3-bis(4-phenylphenyl)indol-6-yl]phenyl]naphthalen-2-amine
CID 118459327
6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131782
N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 123538794
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042
11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 71142575
1-(3,5-diphenylphenyl)-2,3,5-triphenylindole
CID 126620765
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenylbenzo[f]indole?
The IUPAC name of 1,2,3-triphenylbenzo[f]indole (CID 102138150) is 1,2,3-triphenylbenzo[f]indole.
What is the SMILES notation for 1,2,3-triphenylbenzo[f]indole?
The canonical SMILES for 1,2,3-triphenylbenzo[f]indole is c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 1,2,3-triphenylbenzo[f]indole?
The InChIKey is GBJAFGSIJHVXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N/c1-4-12-22(13-5-1)29-27-20-24-16-10-11-17-25(24)21-28(27)31(26-18-8-3-9-19-26)30(29)23-14-6-2-7-15-23/h1-21H.
What are the key properties of 1,2,3-triphenylbenzo[f]indole?
1,2,3-triphenylbenzo[f]indole has a molecular weight of 395.51 g/mol, XLogP of 8.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenylbenzo[f]indole is sourced from PubChem (CID 102138150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).