7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine

C22H15Cl2N — CID 71336764

IUPAC7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine
SMILESClc1cccc(C2=CCN=C(c3ccccc3)c3ccc(Cl)cc32)c1
InChIInChI=1S/C22H15Cl2N/c23-17-8-4-7-16(13-17)19-11-12-25-22(15-5-2-1-3-6-15)20-10-9-18(24)14-21(19)20/h1-11,13-14H,12H2
InChIKeyONOIWEWEJGJYAU-UHFFFAOYSA-N
MW364.28 g/mol
LogP6.28
Rot. Bonds2

About 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine

7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine (PubChem CID 71336764) has the molecular formula C22H15Cl2N and a molecular weight of 364.28 g/mol. Its IUPAC name is 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine.

Molecular Properties

Compound Name7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine
PubChem CID71336764
Molecular FormulaC22H15Cl2N
Molecular Weight364.28 g/mol
Exact Mass363.06
IUPAC Name7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine
SMILESClc1cccc(C2=CCN=C(c3ccccc3)c3ccc(Cl)cc32)c1
InChIInChI=1S/C22H15Cl2N/c23-17-8-4-7-16(13-17)19-11-12-25-22(15-5-2-1-3-6-15)20-10-9-18(24)14-21(19)20/h1-11,13-14H,12H2
InChIKeyONOIWEWEJGJYAU-UHFFFAOYSA-N
XLogP6.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine?
The IUPAC name of 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine (CID 71336764) is 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine.
What is the SMILES notation for 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine?
The canonical SMILES for 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine is Clc1cccc(C2=CCN=C(c3ccccc3)c3ccc(Cl)cc32)c1.
What is the InChIKey of 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine?
The InChIKey is ONOIWEWEJGJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N/c23-17-8-4-7-16(13-17)19-11-12-25-22(15-5-2-1-3-6-15)20-10-9-18(24)14-21(19)20/h1-11,13-14H,12H2.
What are the key properties of 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine?
7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine has a molecular weight of 364.28 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine is sourced from PubChem (CID 71336764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).