12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline

C28H21F3N2 — CID 162409800

IUPAC12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
SMILESFC(F)(F)c1nc2ccccc2c2c(C3=CCC(c4ccccc4)CC3)c3ccccc3n12
InChIInChI=1S/C28H21F3N2/c29-28(30,31)27-32-23-12-6-4-10-21(23)26-25(22-11-5-7-13-24(22)33(26)27)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-13,16,19H,14-15,17H2
InChIKeyWXQFPHHDYKLWQT-UHFFFAOYSA-N
MW442.48 g/mol
LogP8.01
Rot. Bonds2

About 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline

12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline (PubChem CID 162409800) has the molecular formula C28H21F3N2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
PubChem CID162409800
Molecular FormulaC28H21F3N2
Molecular Weight442.48 g/mol
Exact Mass442.17
IUPAC Name12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
SMILESFC(F)(F)c1nc2ccccc2c2c(C3=CCC(c4ccccc4)CC3)c3ccccc3n12
InChIInChI=1S/C28H21F3N2/c29-28(30,31)27-32-23-12-6-4-10-21(23)26-25(22-11-5-7-13-24(22)33(26)27)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-13,16,19H,14-15,17H2
InChIKeyWXQFPHHDYKLWQT-UHFFFAOYSA-N
XLogP8.01
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 12015040
2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene
CID 122234023
6-cyclopropylbenzimidazolo[1,2-c]quinazoline
CID 70651535
4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene
CID 134256168
1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole
CID 53260882
(4-phenylcyclohexen-1-yl)sulfanylbenzene
CID 10945388
1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole
CID 130241443
3-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 174738982
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one
CID 135036149
5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione
CID 90208791
9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole
CID 145494546

Frequently Asked Questions

What is the IUPAC name of 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The IUPAC name of 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline (CID 162409800) is 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline.
What is the SMILES notation for 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The canonical SMILES for 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline is FC(F)(F)c1nc2ccccc2c2c(C3=CCC(c4ccccc4)CC3)c3ccccc3n12.
What is the InChIKey of 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The InChIKey is WXQFPHHDYKLWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N2/c29-28(30,31)27-32-23-12-6-4-10-21(23)26-25(22-11-5-7-13-24(22)33(26)27)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-13,16,19H,14-15,17H2.
What are the key properties of 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline has a molecular weight of 442.48 g/mol, XLogP of 8.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline is sourced from PubChem (CID 162409800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).