5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine

C28H17F6N — CID 86185793

IUPAC5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine
SMILESFC(F)(F)c1cc2c(c(C(F)(F)F)c1)C(c1ccccc1)=NCc1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C28H17F6N/c29-27(30,31)19-14-22-21-13-7-12-20(17-8-3-1-4-9-17)23(21)16-35-26(18-10-5-2-6-11-18)25(22)24(15-19)28(32,33)34/h1-15H,16H2
InChIKeyLCWFPEUFFAIWHF-UHFFFAOYSA-N
MW481.44 g/mol
LogP8.41
Rot. Bonds2

About 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine

5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine (PubChem CID 86185793) has the molecular formula C28H17F6N and a molecular weight of 481.44 g/mol. Its IUPAC name is 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine.

Molecular Properties

Compound Name5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine
PubChem CID86185793
Molecular FormulaC28H17F6N
Molecular Weight481.44 g/mol
Exact Mass481.13
IUPAC Name5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine
SMILESFC(F)(F)c1cc2c(c(C(F)(F)F)c1)C(c1ccccc1)=NCc1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C28H17F6N/c29-27(30,31)19-14-22-21-13-7-12-20(17-8-3-1-4-9-17)23(21)16-35-26(18-10-5-2-6-11-18)25(22)24(15-19)28(32,33)34/h1-15H,16H2
InChIKeyLCWFPEUFFAIWHF-UHFFFAOYSA-N
XLogP8.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenemethanamine,N'-(1,1'-biphenyl]-2,2'-diyldimethylidyne)bis-
CID 424649
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
4-[3,5-bis(trifluoromethyl)phenyl]-7-phenyl-5H-benzo[d][2]benzazepine
CID 85614095
3-fluoro-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614099
5,8-diphenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepine
CID 85614111
7-phenyl-4-[4-(trifluoromethyl)phenyl]-5H-benzo[d][2]benzazepine
CID 85614114
N-Benzhydryl-4-(trifluoromethyl)benzenemethaneimine
CID 15255743
1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine
CID 58915479
4-(4-fluorophenyl)-7-phenyl-5H-benzo[d][2]benzazepine
CID 85614101
[2-[3,5-Bis(trifluoromethyl)phenyl]-6-phenylphenyl]methylidene-(phenylmethylidene)azanium
CID 101682878
Phenylmethylidene-[[2-phenyl-6-[4-(trifluoromethyl)phenyl]phenyl]methylidene]azanium
CID 101682882
[2-(4-Fluorophenyl)-6-phenylphenyl]methylidene-(phenylmethylidene)azanium
CID 101682886

Frequently Asked Questions

What is the IUPAC name of 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine?
The IUPAC name of 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine (CID 86185793) is 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine.
What is the SMILES notation for 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine?
The canonical SMILES for 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine is FC(F)(F)c1cc2c(c(C(F)(F)F)c1)C(c1ccccc1)=NCc1c(-c3ccccc3)cccc1-2.
What is the InChIKey of 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine?
The InChIKey is LCWFPEUFFAIWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F6N/c29-27(30,31)19-14-22-21-13-7-12-20(17-8-3-1-4-9-17)23(21)16-35-26(18-10-5-2-6-11-18)25(22)24(15-19)28(32,33)34/h1-15H,16H2.
What are the key properties of 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine?
5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine has a molecular weight of 481.44 g/mol, XLogP of 8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine is sourced from PubChem (CID 86185793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).