[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate

C103H79Cl4N5O7 — CID 162115886

IUPAC[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate
SMILESCN1Cc2ccccc2C(c2ccccc2Cl)c2ccccc21.COc1ccc(C(=O)N2Cc3ccccc3C(c3ccccc3Cl)c3ccccc32)cc1.O=C(Oc1ccccc1)N1Cc2ccccc2C(c2ccccc2Cl)c2ccccc21.O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C(c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C28H22ClNO2.C27H19ClN2O3.C27H20ClNO2.C21H18ClN/c1-32-21-16-14-19(15-17-21)28(31)30-18-20-8-2-3-9-22(20)27(23-10-4-6-12-25(23)29)24-11-5-7-13-26(24)30;28-24-11-5-3-9-22(24)26-21-8-2-1-7-19(21)17-29(25-12-6-4-10-23(25)26)27(31)18-13-15-20(16-14-18)30(32)33;28-24-16-8-6-14-22(24)26-21-13-5-4-10-19(21)18-29(25-17-9-7-15-23(25)26)27(30)31-20-11-2-1-3-12-20;1-23-14-15-8-2-3-9-16(15)21(17-10-4-6-12-19(17)22)18-11-5-7-13-20(18)23/h2-17,27H,18H2,1H3;1-16,26H,17H2;1-17,26H,18H2;2-13,21H,14H2,1H3
InChIKeyZGTGWDYLBHUJBJ-UHFFFAOYSA-N
MW1640.60 g/mol
LogP25.79
Rot. Bonds9

About [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate

[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate (PubChem CID 162115886) has the molecular formula C103H79Cl4N5O7 and a molecular weight of 1640.60 g/mol. Its IUPAC name is [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate.

Molecular Properties

Compound Name[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate
PubChem CID162115886
Molecular FormulaC103H79Cl4N5O7
Molecular Weight1640.60 g/mol
Exact Mass1637.47
IUPAC Name[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate
SMILESCN1Cc2ccccc2C(c2ccccc2Cl)c2ccccc21.COc1ccc(C(=O)N2Cc3ccccc3C(c3ccccc3Cl)c3ccccc32)cc1.O=C(Oc1ccccc1)N1Cc2ccccc2C(c2ccccc2Cl)c2ccccc21.O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C(c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C28H22ClNO2.C27H19ClN2O3.C27H20ClNO2.C21H18ClN/c1-32-21-16-14-19(15-17-21)28(31)30-18-20-8-2-3-9-22(20)27(23-10-4-6-12-25(23)29)24-11-5-7-13-26(24)30;28-24-11-5-3-9-22(24)26-21-8-2-1-7-19(21)17-29(25-12-6-4-10-23(25)26)27(31)18-13-15-20(16-14-18)30(32)33;28-24-16-8-6-14-22(24)26-21-13-5-4-10-19(21)18-29(25-17-9-7-15-23(25)26)27(30)31-20-11-2-1-3-12-20;1-23-14-15-8-2-3-9-16(15)21(17-10-4-6-12-19(17)22)18-11-5-7-13-20(18)23/h2-17,27H,18H2,1H3;1-16,26H,17H2;1-17,26H,18H2;2-13,21H,14H2,1H3
InChIKeyZGTGWDYLBHUJBJ-UHFFFAOYSA-N
XLogP25.79
TPSA125.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001640.60
LogP ≤ 525.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate?
The IUPAC name of [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate (CID 162115886) is [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate.
What is the SMILES notation for [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate?
The canonical SMILES for [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate is CN1Cc2ccccc2C(c2ccccc2Cl)c2ccccc21.COc1ccc(C(=O)N2Cc3ccccc3C(c3ccccc3Cl)c3ccccc32)cc1.O=C(Oc1ccccc1)N1Cc2ccccc2C(c2ccccc2Cl)c2ccccc21.O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C(c2ccccc2Cl)c2ccccc21.
What is the InChIKey of [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate?
The InChIKey is ZGTGWDYLBHUJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClNO2.C27H19ClN2O3.C27H20ClNO2.C21H18ClN/c1-32-21-16-14-19(15-17-21)28(31)30-18-20-8-2-3-9-22(20)27(23-10-4-6-12-25(23)29)24-11-5-7-13-26(24)30;28-24-11-5-3-9-22(24)26-21-8-2-1-7-19(21)17-29(25-12-6-4-10-23(25)26)27(31)18-13-15-20(16-14-18)30(32)33;28-24-16-8-6-14-22(24)26-21-13-5-4-10-19(21)18-29(25-17-9-7-15-23(25)26)27(30)31-20-11-2-1-3-12-20;1-23-14-15-8-2-3-9-16(15)21(17-10-4-6-12-19(17)22)18-11-5-7-13-20(18)23/h2-17,27H,18H2,1H3;1-16,26H,17H2;1-17,26H,18H2;2-13,21H,14H2,1H3.
What are the key properties of [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate?
[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate has a molecular weight of 1640.60 g/mol, XLogP of 25.79, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate is sourced from PubChem (CID 162115886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).