1-chloro-9,10-diphenylanthracene

C26H17Cl — CID 630189

IUPAC1-chloro-9,10-diphenylanthracene
SMILESClc1cccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C26H17Cl/c27-23-17-9-16-22-24(18-10-3-1-4-11-18)20-14-7-8-15-21(20)25(26(22)23)19-12-5-2-6-13-19/h1-17H
InChIKeyVVCSLEYASKOQEN-UHFFFAOYSA-N
MW364.88 g/mol
LogP7.98
Rot. Bonds2

About 1-chloro-9,10-diphenylanthracene

1-chloro-9,10-diphenylanthracene (PubChem CID 630189) has the molecular formula C26H17Cl and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-chloro-9,10-diphenylanthracene.

Molecular Properties

Compound Name1-chloro-9,10-diphenylanthracene
PubChem CID630189
Molecular FormulaC26H17Cl
Molecular Weight364.88 g/mol
Exact Mass364.10
IUPAC Name1-chloro-9,10-diphenylanthracene
SMILESClc1cccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C26H17Cl/c27-23-17-9-16-22-24(18-10-3-1-4-11-18)20-14-7-8-15-21(20)25(26(22)23)19-12-5-2-6-13-19/h1-17H
InChIKeyVVCSLEYASKOQEN-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'}

Analyze 1-chloro-9,10-diphenylanthracene 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

9,10-Diphenylanthracene
CID 15159
Pyrene, 1,3,6,8-tetrachloro-
CID 66473
2-Chloroanthracene
CID 28308
9-Chloroanthracene
CID 69744
9,10-Dichloroanthracene
CID 11800
1-Chloropyrene
CID 36730
7-Chlorobenz(a)anthracene
CID 88446
7-(Chloromethyl)benz(a)anthracene
CID 95722
Dibenzo(b,k)Chrysene
CID 9169
9,9'-Bianthryl
CID 66105
1-(Chloromethyl)pyrene
CID 97581
1-Chloroanthracene
CID 39740

Frequently Asked Questions

What is the IUPAC name of 1-chloro-9,10-diphenylanthracene?
The IUPAC name of 1-chloro-9,10-diphenylanthracene (CID 630189) is 1-chloro-9,10-diphenylanthracene.
What is the SMILES notation for 1-chloro-9,10-diphenylanthracene?
The canonical SMILES for 1-chloro-9,10-diphenylanthracene is Clc1cccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12.
What is the InChIKey of 1-chloro-9,10-diphenylanthracene?
The InChIKey is VVCSLEYASKOQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl/c27-23-17-9-16-22-24(18-10-3-1-4-11-18)20-14-7-8-15-21(20)25(26(22)23)19-12-5-2-6-13-19/h1-17H.
What are the key properties of 1-chloro-9,10-diphenylanthracene?
1-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 1-chloro-9,10-diphenylanthracene is sourced from PubChem (CID 630189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).