9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene

C40H25Cl — CID 146478399

IUPAC9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene
SMILESClc1ccc(-c2cc3ccccc3c3ccccc23)cc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C40H25Cl/c41-38-23-22-28(36-24-27-14-4-5-15-29(27)30-16-6-7-17-31(30)36)25-37(38)40-34-20-10-8-18-32(34)39(26-12-2-1-3-13-26)33-19-9-11-21-35(33)40/h1-25H
InChIKeyYYJZMIIEZGNXDP-UHFFFAOYSA-N
MW541.09 g/mol
LogP11.95
Rot. Bonds3

About 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene

9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene (PubChem CID 146478399) has the molecular formula C40H25Cl and a molecular weight of 541.09 g/mol. Its IUPAC name is 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene
PubChem CID146478399
Molecular FormulaC40H25Cl
Molecular Weight541.09 g/mol
Exact Mass540.16
IUPAC Name9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene
SMILESClc1ccc(-c2cc3ccccc3c3ccccc23)cc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C40H25Cl/c41-38-23-22-28(36-24-27-14-4-5-15-29(27)30-16-6-7-17-31(30)36)25-37(38)40-34-20-10-8-18-32(34)39(26-12-2-1-3-13-26)33-19-9-11-21-35(33)40/h1-25H
InChIKeyYYJZMIIEZGNXDP-UHFFFAOYSA-N
XLogP11.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.09
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
2-phenanthren-9-yl-8-(10-phenylanthracen-9-yl)dibenzothiophene
CID 162423752
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053

Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene?
The IUPAC name of 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene (CID 146478399) is 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene.
What is the SMILES notation for 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene?
The canonical SMILES for 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene is Clc1ccc(-c2cc3ccccc3c3ccccc23)cc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene?
The InChIKey is YYJZMIIEZGNXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25Cl/c41-38-23-22-28(36-24-27-14-4-5-15-29(27)30-16-6-7-17-31(30)36)25-37(38)40-34-20-10-8-18-32(34)39(26-12-2-1-3-13-26)33-19-9-11-21-35(33)40/h1-25H.
What are the key properties of 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene?
9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene has a molecular weight of 541.09 g/mol, XLogP of 11.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene is sourced from PubChem (CID 146478399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).