9-(4-chloro-2,5-diphenylphenyl)phenanthrene

C32H21Cl — CID 170067041

IUPAC9-(4-chloro-2,5-diphenylphenyl)phenanthrene
SMILESClc1cc(-c2ccccc2)c(-c2cc3ccccc3c3ccccc23)cc1-c1ccccc1
InChIInChI=1S/C32H21Cl/c33-32-21-28(22-11-3-1-4-12-22)31(20-29(32)23-13-5-2-6-14-23)30-19-24-15-7-8-16-25(24)26-17-9-10-18-27(26)30/h1-21H
InChIKeySVIMLAIOTOKADR-UHFFFAOYSA-N
MW440.97 g/mol
LogP9.65
Rot. Bonds3

About 9-(4-chloro-2,5-diphenylphenyl)phenanthrene

9-(4-chloro-2,5-diphenylphenyl)phenanthrene (PubChem CID 170067041) has the molecular formula C32H21Cl and a molecular weight of 440.97 g/mol. Its IUPAC name is 9-(4-chloro-2,5-diphenylphenyl)phenanthrene.

Molecular Properties

Compound Name9-(4-chloro-2,5-diphenylphenyl)phenanthrene
PubChem CID170067041
Molecular FormulaC32H21Cl
Molecular Weight440.97 g/mol
Exact Mass440.13
IUPAC Name9-(4-chloro-2,5-diphenylphenyl)phenanthrene
SMILESClc1cc(-c2ccccc2)c(-c2cc3ccccc3c3ccccc23)cc1-c1ccccc1
InChIInChI=1S/C32H21Cl/c33-32-21-28(22-11-3-1-4-12-22)31(20-29(32)23-13-5-2-6-14-23)30-19-24-15-7-8-16-25(24)26-17-9-10-18-27(26)30/h1-21H
InChIKeySVIMLAIOTOKADR-UHFFFAOYSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.97
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(4-methyl-2,5-diphenylphenyl)phenanthrene
CID 167535758
1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 59391009
2-(3-phenanthren-9-yl-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175324946
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
1,2,4-trichloro-5-phenylbenzene
CID 27514
10-(2-chlorophenyl)-2-phenylphenanthrene
CID 172565671
3-phenanthren-9-yl-N,N,4-tris(4-phenylphenyl)aniline
CID 170054845
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
9-(4-chloronaphthalen-2-yl)phenanthrene
CID 169007345
4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
2-chloro-1,3-diphenylnaphthalene
CID 12697982

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloro-2,5-diphenylphenyl)phenanthrene?
The IUPAC name of 9-(4-chloro-2,5-diphenylphenyl)phenanthrene (CID 170067041) is 9-(4-chloro-2,5-diphenylphenyl)phenanthrene.
What is the SMILES notation for 9-(4-chloro-2,5-diphenylphenyl)phenanthrene?
The canonical SMILES for 9-(4-chloro-2,5-diphenylphenyl)phenanthrene is Clc1cc(-c2ccccc2)c(-c2cc3ccccc3c3ccccc23)cc1-c1ccccc1.
What is the InChIKey of 9-(4-chloro-2,5-diphenylphenyl)phenanthrene?
The InChIKey is SVIMLAIOTOKADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Cl/c33-32-21-28(22-11-3-1-4-12-22)31(20-29(32)23-13-5-2-6-14-23)30-19-24-15-7-8-16-25(24)26-17-9-10-18-27(26)30/h1-21H.
What are the key properties of 9-(4-chloro-2,5-diphenylphenyl)phenanthrene?
9-(4-chloro-2,5-diphenylphenyl)phenanthrene has a molecular weight of 440.97 g/mol, XLogP of 9.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chloro-2,5-diphenylphenyl)phenanthrene is sourced from PubChem (CID 170067041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).