2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene

C32H19Br3 — CID 150895090

IUPAC2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene
SMILESBrc1cc(Br)c(-c2c(-c3ccccc3)c(-c3ccccc3)cc3cc4ccccc4cc23)c(Br)c1
InChIInChI=1S/C32H19Br3/c33-25-18-28(34)32(29(35)19-25)31-27-16-23-14-8-7-13-22(23)15-24(27)17-26(20-9-3-1-4-10-20)30(31)21-11-5-2-6-12-21/h1-19H
InChIKeyKYVAMESYCZJCAJ-UHFFFAOYSA-N
MW643.22 g/mol
LogP11.28
Rot. Bonds3

About 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene

2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene (PubChem CID 150895090) has the molecular formula C32H19Br3 and a molecular weight of 643.22 g/mol. Its IUPAC name is 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene.

Molecular Properties

Compound Name2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene
PubChem CID150895090
Molecular FormulaC32H19Br3
Molecular Weight643.22 g/mol
Exact Mass639.90
IUPAC Name2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene
SMILESBrc1cc(Br)c(-c2c(-c3ccccc3)c(-c3ccccc3)cc3cc4ccccc4cc23)c(Br)c1
InChIInChI=1S/C32H19Br3/c33-25-18-28(34)32(29(35)19-25)31-27-16-23-14-8-7-13-22(23)15-24(27)17-26(20-9-3-1-4-10-20)30(31)21-11-5-2-6-12-21/h1-19H
InChIKeyKYVAMESYCZJCAJ-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.22
LogP ≤ 511.28
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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Related Compounds

2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
1,2-diphenylpentacene
CID 22247158
2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene
CID 173292165
2,6-dibromo-1-(2-phenylphenyl)anthracene
CID 175140401
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene
CID 166544861
1,4,8,11-tetraphenylpentacene
CID 102295223
1-(2,3-diphenylphenyl)anthracene
CID 151584978
3-bromo-2-phenylnaphthalen-1-ol
CID 121316488
6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine
CID 174888728
2-deuterio-1-phenylanthracene
CID 162719950
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene?
The IUPAC name of 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene (CID 150895090) is 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene.
What is the SMILES notation for 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene?
The canonical SMILES for 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene is Brc1cc(Br)c(-c2c(-c3ccccc3)c(-c3ccccc3)cc3cc4ccccc4cc23)c(Br)c1.
What is the InChIKey of 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene?
The InChIKey is KYVAMESYCZJCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19Br3/c33-25-18-28(34)32(29(35)19-25)31-27-16-23-14-8-7-13-22(23)15-24(27)17-26(20-9-3-1-4-10-20)30(31)21-11-5-2-6-12-21/h1-19H.
What are the key properties of 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene?
2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene has a molecular weight of 643.22 g/mol, XLogP of 11.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene is sourced from PubChem (CID 150895090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).