6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine

C25H16F2N2 — CID 177308194

IUPAC6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine
SMILESFc1cc(F)cc(C2=Nc3ccccc3-c3ccccc3N2c2ccccc2)c1
InChIInChI=1S/C25H16F2N2/c26-18-14-17(15-19(27)16-18)25-28-23-12-6-4-10-21(23)22-11-5-7-13-24(22)29(25)20-8-2-1-3-9-20/h1-16H
InChIKeyQSZQCJXSXABBJP-UHFFFAOYSA-N
MW382.41 g/mol
LogP6.86
Rot. Bonds2

About 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine

6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine (PubChem CID 177308194) has the molecular formula C25H16F2N2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine
PubChem CID177308194
Molecular FormulaC25H16F2N2
Molecular Weight382.41 g/mol
Exact Mass382.13
IUPAC Name6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine
SMILESFc1cc(F)cc(C2=Nc3ccccc3-c3ccccc3N2c2ccccc2)c1
InChIInChI=1S/C25H16F2N2/c26-18-14-17(15-19(27)16-18)25-28-23-12-6-4-10-21(23)22-11-5-7-13-24(22)29(25)20-8-2-1-3-9-20/h1-16H
InChIKeyQSZQCJXSXABBJP-UHFFFAOYSA-N
XLogP6.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine 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

6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine
CID 177308196
5-(2,6-dimethylphenyl)-6-phenylbenzo[d][1,3]benzodiazepine
CID 177308203
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
5-methyl-6-(1H-pyrrol-2-yl)benzo[d][1,3]benzodiazepine
CID 171747038
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;vanadium
CID 159673552
3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one
CID 12066535
14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 121400635
N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine
CID 129062143
10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216161
11-fluoro-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 168836129
6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine
CID 15352669
14-phenyl-4-triphenylen-1-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 121400651

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine?
The IUPAC name of 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine (CID 177308194) is 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine.
What is the SMILES notation for 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine?
The canonical SMILES for 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine is Fc1cc(F)cc(C2=Nc3ccccc3-c3ccccc3N2c2ccccc2)c1.
What is the InChIKey of 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine?
The InChIKey is QSZQCJXSXABBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N2/c26-18-14-17(15-19(27)16-18)25-28-23-12-6-4-10-21(23)22-11-5-7-13-24(22)29(25)20-8-2-1-3-9-20/h1-16H.
What are the key properties of 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine?
6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine has a molecular weight of 382.41 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine is sourced from PubChem (CID 177308194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).