9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene

C30H19Br — CID 59523782

IUPAC9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESBrc1c2ccccc2c(-c2cccc(-c3ccc4ccccc4c3)c2)c2ccccc12
InChIInChI=1S/C30H19Br/c31-30-27-14-5-3-12-25(27)29(26-13-4-6-15-28(26)30)24-11-7-10-22(19-24)23-17-16-20-8-1-2-9-21(20)18-23/h1-19H
InChIKeyXFKJCQNYVLAQMP-UHFFFAOYSA-N
MW459.39 g/mol
LogP9.24
Rot. Bonds2

About 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene

9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 59523782) has the molecular formula C30H19Br and a molecular weight of 459.39 g/mol. Its IUPAC name is 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
PubChem CID59523782
Molecular FormulaC30H19Br
Molecular Weight459.39 g/mol
Exact Mass458.07
IUPAC Name9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESBrc1c2ccccc2c(-c2cccc(-c3ccc4ccccc4c3)c2)c2ccccc12
InChIInChI=1S/C30H19Br/c31-30-27-14-5-3-12-25(27)29(26-13-4-6-15-28(26)30)24-11-7-10-22(19-24)23-17-16-20-8-1-2-9-21(20)18-23/h1-19H
InChIKeyXFKJCQNYVLAQMP-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 59.24
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-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 58194480
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene (CID 59523782) is 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene is Brc1c2ccccc2c(-c2cccc(-c3ccc4ccccc4c3)c2)c2ccccc12.
What is the InChIKey of 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is XFKJCQNYVLAQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br/c31-30-27-14-5-3-12-25(27)29(26-13-4-6-15-28(26)30)24-11-7-10-22(19-24)23-17-16-20-8-1-2-9-21(20)18-23/h1-19H.
What are the key properties of 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene?
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene has a molecular weight of 459.39 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 59523782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).