9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole

C38H24ClN — CID 167485592

IUPAC9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole
SMILESClc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C38H24ClN/c39-27-20-21-30(36(24-27)35-23-26-10-1-2-13-29(26)31-14-3-4-15-32(31)35)25-11-9-12-28(22-25)40-37-18-7-5-16-33(37)34-17-6-8-19-38(34)40/h1-24H
InChIKeyUNSADZVLSHOWPW-UHFFFAOYSA-N
MW530.07 g/mol
LogP11.08
Rot. Bonds3

About 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole

9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole (PubChem CID 167485592) has the molecular formula C38H24ClN and a molecular weight of 530.07 g/mol. Its IUPAC name is 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole
PubChem CID167485592
Molecular FormulaC38H24ClN
Molecular Weight530.07 g/mol
Exact Mass529.16
IUPAC Name9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole
SMILESClc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C38H24ClN/c39-27-20-21-30(36(24-27)35-23-26-10-1-2-13-29(26)31-14-3-4-15-32(31)35)25-11-9-12-28(22-25)40-37-18-7-5-16-33(37)34-17-6-8-19-38(34)40/h1-24H
InChIKeyUNSADZVLSHOWPW-UHFFFAOYSA-N
XLogP11.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.07
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole 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

3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359
9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole
CID 58879522
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
9-[5-chloro-2-(3-phenylphenyl)phenyl]carbazole
CID 139303654
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene
CID 159139576
5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 154952653
9-[3-[4-[4-(3-naphthalen-1-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-(3-phenanthren-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 161094914
5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 139342074

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole (CID 167485592) is 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole is Clc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole?
The InChIKey is UNSADZVLSHOWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24ClN/c39-27-20-21-30(36(24-27)35-23-26-10-1-2-13-29(26)31-14-3-4-15-32(31)35)25-11-9-12-28(22-25)40-37-18-7-5-16-33(37)34-17-6-8-19-38(34)40/h1-24H.
What are the key properties of 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole?
9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole has a molecular weight of 530.07 g/mol, XLogP of 11.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 167485592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).