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

C25H16Cl2N2 — CID 177308196

IUPAC6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine
SMILESClc1cc(Cl)cc(C2=Nc3ccccc3-c3ccccc3N2c2ccccc2)c1
InChIInChI=1S/C25H16Cl2N2/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
InChIKeySSHTZYTZZTXKTM-UHFFFAOYSA-N
MW415.32 g/mol
LogP7.89
Rot. Bonds2

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

6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine (PubChem CID 177308196) has the molecular formula C25H16Cl2N2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine
PubChem CID177308196
Molecular FormulaC25H16Cl2N2
Molecular Weight415.32 g/mol
Exact Mass414.07
IUPAC Name6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine
SMILESClc1cc(Cl)cc(C2=Nc3ccccc3-c3ccccc3N2c2ccccc2)c1
InChIInChI=1S/C25H16Cl2N2/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
InChIKeySSHTZYTZZTXKTM-UHFFFAOYSA-N
XLogP7.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine?
The IUPAC name of 6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine (CID 177308196) is 6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine?
The canonical SMILES for 6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine is Clc1cc(Cl)cc(C2=Nc3ccccc3-c3ccccc3N2c2ccccc2)c1.
What is the InChIKey of 6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine?
The InChIKey is SSHTZYTZZTXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2/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-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine?
6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine has a molecular weight of 415.32 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-5-phenylbenzo[d][1,3]benzodiazepine is sourced from PubChem (CID 177308196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).