1,5-dichloro-9,10-diphenylanthracene

C26H16Cl2 — CID 71421341

IUPAC1,5-dichloro-9,10-diphenylanthracene
SMILESClc1cccc2c(-c3ccccc3)c3c(Cl)cccc3c(-c3ccccc3)c12
InChIInChI=1S/C26H16Cl2/c27-21-15-8-14-20-24(18-11-5-2-6-12-18)26-19(13-7-16-22(26)28)23(25(20)21)17-9-3-1-4-10-17/h1-16H
InChIKeyNBHVEPUWSSAYCM-UHFFFAOYSA-N
MW399.32 g/mol
LogP8.63
Rot. Bonds2

About 1,5-dichloro-9,10-diphenylanthracene

1,5-dichloro-9,10-diphenylanthracene (PubChem CID 71421341) has the molecular formula C26H16Cl2 and a molecular weight of 399.32 g/mol. Its IUPAC name is 1,5-dichloro-9,10-diphenylanthracene.

Molecular Properties

Compound Name1,5-dichloro-9,10-diphenylanthracene
PubChem CID71421341
Molecular FormulaC26H16Cl2
Molecular Weight399.32 g/mol
Exact Mass398.06
IUPAC Name1,5-dichloro-9,10-diphenylanthracene
SMILESClc1cccc2c(-c3ccccc3)c3c(Cl)cccc3c(-c3ccccc3)c12
InChIInChI=1S/C26H16Cl2/c27-21-15-8-14-20-24(18-11-5-2-6-12-18)26-19(13-7-16-22(26)28)23(25(20)21)17-9-3-1-4-10-17/h1-16H
InChIKeyNBHVEPUWSSAYCM-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 58.63
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 1,5-dichloro-9,10-diphenylanthracene?
The IUPAC name of 1,5-dichloro-9,10-diphenylanthracene (CID 71421341) is 1,5-dichloro-9,10-diphenylanthracene.
What is the SMILES notation for 1,5-dichloro-9,10-diphenylanthracene?
The canonical SMILES for 1,5-dichloro-9,10-diphenylanthracene is Clc1cccc2c(-c3ccccc3)c3c(Cl)cccc3c(-c3ccccc3)c12.
What is the InChIKey of 1,5-dichloro-9,10-diphenylanthracene?
The InChIKey is NBHVEPUWSSAYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2/c27-21-15-8-14-20-24(18-11-5-2-6-12-18)26-19(13-7-16-22(26)28)23(25(20)21)17-9-3-1-4-10-17/h1-16H.
What are the key properties of 1,5-dichloro-9,10-diphenylanthracene?
1,5-dichloro-9,10-diphenylanthracene has a molecular weight of 399.32 g/mol, XLogP of 8.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-9,10-diphenylanthracene is sourced from PubChem (CID 71421341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).