6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine

C26H13F6N — CID 14144845

IUPAC6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine
SMILESFc1c(F)c(F)c2c3c(c(F)c(F)c2c1F)N=C(c1ccccc1)CC(c1ccccc1)=C3
InChIInChI=1S/C26H13F6N/c27-20-18-16-11-15(13-7-3-1-4-8-13)12-17(14-9-5-2-6-10-14)33-26(16)25(32)22(29)19(18)21(28)24(31)23(20)30/h1-11H,12H2
InChIKeyFYYJJUBONQJCAU-UHFFFAOYSA-N
MW453.39 g/mol
LogP7.74
Rot. Bonds2

About 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine

6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine (PubChem CID 14144845) has the molecular formula C26H13F6N and a molecular weight of 453.39 g/mol. Its IUPAC name is 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine.

Molecular Properties

Compound Name6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine
PubChem CID14144845
Molecular FormulaC26H13F6N
Molecular Weight453.39 g/mol
Exact Mass453.10
IUPAC Name6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine
SMILESFc1c(F)c(F)c2c3c(c(F)c(F)c2c1F)N=C(c1ccccc1)CC(c1ccccc1)=C3
InChIInChI=1S/C26H13F6N/c27-20-18-16-11-15(13-7-3-1-4-8-13)12-17(14-9-5-2-6-10-14)33-26(16)25(32)22(29)19(18)21(28)24(31)23(20)30/h1-11H,12H2
InChIKeyFYYJJUBONQJCAU-UHFFFAOYSA-N
XLogP7.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.39
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzo[e]indole
CID 176223208
2-[(E)-2-(4-fluorophenyl)ethenyl]-1,1-dimethylbenzo[e]indole
CID 176223420
1,1-dimethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzo[e]indole
CID 176223430
2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,1-dimethylbenzo[e]indole
CID 176223501
Benz(e)indeno(1,2-b)indole
CID 3033969
1-N,2-N-bis[3,5-bis(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 12985667
1,1-dimethyl-2-[(E)-2-phenylethenyl]benzo[e]indole
CID 176223242
1,5-Bis(4-fluorobenzylideneamino)naphthalene
CID 565462
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11285131
6,7,8,9-tetrafluoro-2,4-diphenyl-3H-1-benzazepine
CID 14144844
6,12-Diphenyl-2,8-bis(trifluoromethyl)benzo[c][1,5]benzodiazocine
CID 85849683
1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 101028783

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine?
The IUPAC name of 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine (CID 14144845) is 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine.
What is the SMILES notation for 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine?
The canonical SMILES for 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine is Fc1c(F)c(F)c2c3c(c(F)c(F)c2c1F)N=C(c1ccccc1)CC(c1ccccc1)=C3.
What is the InChIKey of 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine?
The InChIKey is FYYJJUBONQJCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13F6N/c27-20-18-16-11-15(13-7-3-1-4-8-13)12-17(14-9-5-2-6-10-14)33-26(16)25(32)22(29)19(18)21(28)24(31)23(20)30/h1-11H,12H2.
What are the key properties of 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine?
6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine has a molecular weight of 453.39 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine is sourced from PubChem (CID 14144845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).