4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile

C32H18F3N3 — CID 122431307

IUPAC4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(-c2c3[nH]c4ccccc4c3c(-c3ccccc3)c3[nH]c4ccccc4c23)c(C(F)(F)F)c1
InChIInChI=1S/C32H18F3N3/c33-32(34,35)23-16-18(17-36)14-15-20(23)27-29-22-11-5-7-13-25(22)37-30(29)26(19-8-2-1-3-9-19)28-21-10-4-6-12-24(21)38-31(27)28/h1-16,37-38H
InChIKeyLKSZHHCQARKWCY-UHFFFAOYSA-N
MW501.51 g/mol
LogP9.18
Rot. Bonds2

About 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile

4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile (PubChem CID 122431307) has the molecular formula C32H18F3N3 and a molecular weight of 501.51 g/mol. Its IUPAC name is 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile
PubChem CID122431307
Molecular FormulaC32H18F3N3
Molecular Weight501.51 g/mol
Exact Mass501.15
IUPAC Name4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(-c2c3[nH]c4ccccc4c3c(-c3ccccc3)c3[nH]c4ccccc4c23)c(C(F)(F)F)c1
InChIInChI=1S/C32H18F3N3/c33-32(34,35)23-16-18(17-36)14-15-20(23)27-29-22-11-5-7-13-25(22)37-30(29)26(19-8-2-1-3-9-19)28-21-10-4-6-12-24(21)38-31(27)28/h1-16,37-38H
InChIKeyLKSZHHCQARKWCY-UHFFFAOYSA-N
XLogP9.18
TPSA55.37 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 59.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile (CID 122431307) is 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(-c2c3[nH]c4ccccc4c3c(-c3ccccc3)c3[nH]c4ccccc4c23)c(C(F)(F)F)c1.
What is the InChIKey of 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile?
The InChIKey is LKSZHHCQARKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F3N3/c33-32(34,35)23-16-18(17-36)14-15-20(23)27-29-22-11-5-7-13-25(22)37-30(29)26(19-8-2-1-3-9-19)28-21-10-4-6-12-24(21)38-31(27)28/h1-16,37-38H.
What are the key properties of 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile?
4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile has a molecular weight of 501.51 g/mol, XLogP of 9.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 122431307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).