3-chloro-5-phenyl-7H-benzo[d][2]benzazepine

C20H14ClN — CID 13055168

IUPAC3-chloro-5-phenyl-7H-benzo[d][2]benzazepine
SMILESClc1ccc2c(c1)C(c1ccccc1)=NCc1ccccc1-2
InChIInChI=1S/C20H14ClN/c21-16-10-11-18-17-9-5-4-8-15(17)13-22-20(19(18)12-16)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeySYCGULQPAPDITJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP5.36
Rot. Bonds1

About 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine

3-chloro-5-phenyl-7H-benzo[d][2]benzazepine (PubChem CID 13055168) has the molecular formula C20H14ClN and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine.

Molecular Properties

Compound Name3-chloro-5-phenyl-7H-benzo[d][2]benzazepine
PubChem CID13055168
Molecular FormulaC20H14ClN
Molecular Weight303.79 g/mol
Exact Mass303.08
IUPAC Name3-chloro-5-phenyl-7H-benzo[d][2]benzazepine
SMILESClc1ccc2c(c1)C(c1ccccc1)=NCc1ccccc1-2
InChIInChI=1S/C20H14ClN/c21-16-10-11-18-17-9-5-4-8-15(17)13-22-20(19(18)12-16)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeySYCGULQPAPDITJ-UHFFFAOYSA-N
XLogP5.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.79
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine?
The IUPAC name of 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine (CID 13055168) is 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine.
What is the SMILES notation for 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine?
The canonical SMILES for 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine is Clc1ccc2c(c1)C(c1ccccc1)=NCc1ccccc1-2.
What is the InChIKey of 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine?
The InChIKey is SYCGULQPAPDITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN/c21-16-10-11-18-17-9-5-4-8-15(17)13-22-20(19(18)12-16)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine?
3-chloro-5-phenyl-7H-benzo[d][2]benzazepine has a molecular weight of 303.79 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenyl-7H-benzo[d][2]benzazepine is sourced from PubChem (CID 13055168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).