4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C31H20ClN — CID 168750793

IUPAC4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESClc1ccc(-c2ccc3c(c2)C2(c4ccccc4)c4ccccc4Nc4cccc-3c42)cc1
InChIInChI=1S/C31H20ClN/c32-23-16-13-20(14-17-23)21-15-18-24-25-9-6-12-29-30(25)31(27(24)19-21,22-7-2-1-3-8-22)26-10-4-5-11-28(26)33-29/h1-19,33H
InChIKeyLTMXYAQRZRJSKG-UHFFFAOYSA-N
MW441.96 g/mol
LogP8.43
Rot. Bonds2

About 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 168750793) has the molecular formula C31H20ClN and a molecular weight of 441.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
PubChem CID168750793
Molecular FormulaC31H20ClN
Molecular Weight441.96 g/mol
Exact Mass441.13
IUPAC Name4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESClc1ccc(-c2ccc3c(c2)C2(c4ccccc4)c4ccccc4Nc4cccc-3c42)cc1
InChIInChI=1S/C31H20ClN/c32-23-16-13-20(14-17-23)21-15-18-24-25-9-6-12-29-30(25)31(27(24)19-21,22-7-2-1-3-8-22)26-10-4-5-11-28(26)33-29/h1-19,33H
InChIKeyLTMXYAQRZRJSKG-UHFFFAOYSA-N
XLogP8.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.96
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene 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

2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine
CID 141492904
1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156896822
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
2-chloro-6-(9,9-diphenylfluoren-2-yl)pyridine
CID 164803869
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
9-[2-(4-chlorophenyl)phenyl]-2,7-bis(3-phenylphenyl)fluoren-9-ol
CID 155407363
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 134253365

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 168750793) is 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is Clc1ccc(-c2ccc3c(c2)C2(c4ccccc4)c4ccccc4Nc4cccc-3c42)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The InChIKey is LTMXYAQRZRJSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN/c32-23-16-13-20(14-17-23)21-15-18-24-25-9-6-12-29-30(25)31(27(24)19-21,22-7-2-1-3-8-22)26-10-4-5-11-28(26)33-29/h1-19,33H.
What are the key properties of 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 441.96 g/mol, XLogP of 8.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 168750793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).