2-(3-chloro-5-phenylphenyl)phenanthrene

C26H17Cl — CID 156891659

IUPAC2-(3-chloro-5-phenylphenyl)phenanthrene
SMILESClc1cc(-c2ccccc2)cc(-c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C26H17Cl/c27-24-16-22(18-6-2-1-3-7-18)15-23(17-24)20-12-13-26-21(14-20)11-10-19-8-4-5-9-25(19)26/h1-17H
InChIKeyZPOAHLIHGAVYKX-UHFFFAOYSA-N
MW364.88 g/mol
LogP7.98
Rot. Bonds2

About 2-(3-chloro-5-phenylphenyl)phenanthrene

2-(3-chloro-5-phenylphenyl)phenanthrene (PubChem CID 156891659) has the molecular formula C26H17Cl and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-(3-chloro-5-phenylphenyl)phenanthrene.

Molecular Properties

Compound Name2-(3-chloro-5-phenylphenyl)phenanthrene
PubChem CID156891659
Molecular FormulaC26H17Cl
Molecular Weight364.88 g/mol
Exact Mass364.10
IUPAC Name2-(3-chloro-5-phenylphenyl)phenanthrene
SMILESClc1cc(-c2ccccc2)cc(-c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C26H17Cl/c27-24-16-22(18-6-2-1-3-7-18)15-23(17-24)20-12-13-26-21(14-20)11-10-19-8-4-5-9-25(19)26/h1-17H
InChIKeyZPOAHLIHGAVYKX-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 57.98
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

7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
2-naphthalen-2-ylphenanthrene
CID 90738367
2-phenanthren-2-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171598299
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227
3-phenylbenzo[a]anthracene
CID 59412661
9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
CID 123644729

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-phenylphenyl)phenanthrene?
The IUPAC name of 2-(3-chloro-5-phenylphenyl)phenanthrene (CID 156891659) is 2-(3-chloro-5-phenylphenyl)phenanthrene.
What is the SMILES notation for 2-(3-chloro-5-phenylphenyl)phenanthrene?
The canonical SMILES for 2-(3-chloro-5-phenylphenyl)phenanthrene is Clc1cc(-c2ccccc2)cc(-c2ccc3c(ccc4ccccc43)c2)c1.
What is the InChIKey of 2-(3-chloro-5-phenylphenyl)phenanthrene?
The InChIKey is ZPOAHLIHGAVYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl/c27-24-16-22(18-6-2-1-3-7-18)15-23(17-24)20-12-13-26-21(14-20)11-10-19-8-4-5-9-25(19)26/h1-17H.
What are the key properties of 2-(3-chloro-5-phenylphenyl)phenanthrene?
2-(3-chloro-5-phenylphenyl)phenanthrene has a molecular weight of 364.88 g/mol, XLogP of 7.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-phenylphenyl)phenanthrene is sourced from PubChem (CID 156891659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).