2-chloro-9,10-diphenylanthracene

C26H17Cl — CID 632525

IUPAC2-chloro-9,10-diphenylanthracene
SMILESClc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C26H17Cl/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17H
InChIKeyPLMFIWDPKYXMGE-UHFFFAOYSA-N
MW364.88 g/mol
LogP7.98
Rot. Bonds2

About 2-chloro-9,10-diphenylanthracene

2-chloro-9,10-diphenylanthracene (PubChem CID 632525) has the molecular formula C26H17Cl and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-chloro-9,10-diphenylanthracene.

Molecular Properties

Compound Name2-chloro-9,10-diphenylanthracene
PubChem CID632525
Molecular FormulaC26H17Cl
Molecular Weight364.88 g/mol
Exact Mass364.10
IUPAC Name2-chloro-9,10-diphenylanthracene
SMILESClc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C26H17Cl/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17H
InChIKeyPLMFIWDPKYXMGE-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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9,10-diphenylanthracene?
The IUPAC name of 2-chloro-9,10-diphenylanthracene (CID 632525) is 2-chloro-9,10-diphenylanthracene.
What is the SMILES notation for 2-chloro-9,10-diphenylanthracene?
The canonical SMILES for 2-chloro-9,10-diphenylanthracene is Clc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-chloro-9,10-diphenylanthracene?
The InChIKey is PLMFIWDPKYXMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17H.
What are the key properties of 2-chloro-9,10-diphenylanthracene?
2-chloro-9,10-diphenylanthracene 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-chloro-9,10-diphenylanthracene is sourced from PubChem (CID 632525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).