9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene

C36H23Br — CID 58194480

IUPAC9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene
SMILESBrc1c2cc(-c3ccccc3)ccc2c(-c2ccc3ccccc3c2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C36H23Br/c37-36-32-20-18-28(24-9-3-1-4-10-24)22-33(32)35(30-16-15-26-13-7-8-14-27(26)21-30)31-19-17-29(23-34(31)36)25-11-5-2-6-12-25/h1-23H
InChIKeyPMWXQNVTASMORM-UHFFFAOYSA-N
MW535.48 g/mol
LogP10.91
Rot. Bonds3

About 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene

9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene (PubChem CID 58194480) has the molecular formula C36H23Br and a molecular weight of 535.48 g/mol. Its IUPAC name is 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene.

Molecular Properties

Compound Name9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene
PubChem CID58194480
Molecular FormulaC36H23Br
Molecular Weight535.48 g/mol
Exact Mass534.10
IUPAC Name9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene
SMILESBrc1c2cc(-c3ccccc3)ccc2c(-c2ccc3ccccc3c2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C36H23Br/c37-36-32-20-18-28(24-9-3-1-4-10-24)22-33(32)35(30-16-15-26-13-7-8-14-27(26)21-30)31-19-17-29(23-34(31)36)25-11-5-2-6-12-25/h1-23H
InChIKeyPMWXQNVTASMORM-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.48
LogP ≤ 510.91
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

9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 142716268
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene?
The IUPAC name of 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene (CID 58194480) is 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene.
What is the SMILES notation for 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene?
The canonical SMILES for 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene is Brc1c2cc(-c3ccccc3)ccc2c(-c2ccc3ccccc3c2)c2cc(-c3ccccc3)ccc12.
What is the InChIKey of 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene?
The InChIKey is PMWXQNVTASMORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23Br/c37-36-32-20-18-28(24-9-3-1-4-10-24)22-33(32)35(30-16-15-26-13-7-8-14-27(26)21-30)31-19-17-29(23-34(31)36)25-11-5-2-6-12-25/h1-23H.
What are the key properties of 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene?
9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene has a molecular weight of 535.48 g/mol, XLogP of 10.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene is sourced from PubChem (CID 58194480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).