2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene

C46H29Br — CID 58121670

IUPAC2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
SMILESBrc1ccc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1
InChIInChI=1S/C46H29Br/c47-40-25-26-43-44(29-40)46(35-21-15-33(16-22-35)39-24-18-31-8-2-4-10-37(31)28-39)42-12-6-5-11-41(42)45(43)34-19-13-32(14-20-34)38-23-17-30-7-1-3-9-36(30)27-38/h1-29H
InChIKeyWNLJHZMUFBHSLW-UHFFFAOYSA-N
MW661.64 g/mol
LogP13.73
Rot. Bonds4

About 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene

2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 58121670) has the molecular formula C46H29Br and a molecular weight of 661.64 g/mol. Its IUPAC name is 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
PubChem CID58121670
Molecular FormulaC46H29Br
Molecular Weight661.64 g/mol
Exact Mass660.15
IUPAC Name2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
SMILESBrc1ccc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1
InChIInChI=1S/C46H29Br/c47-40-25-26-43-44(29-40)46(35-21-15-33(16-22-35)39-24-18-31-8-2-4-10-37(31)28-39)42-12-6-5-11-41(42)45(43)34-19-13-32(14-20-34)38-23-17-30-7-1-3-9-36(30)27-38/h1-29H
InChIKeyWNLJHZMUFBHSLW-UHFFFAOYSA-N
XLogP13.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.64
LogP ≤ 513.73
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-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
11-bromo-9,14-dinaphthalen-2-ylbenzo[b]triphenylene
CID 58151215
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
1-bromo-4-iodobenzene;2-(4-bromophenyl)naphthalene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 161268900
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene (CID 58121670) is 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene is Brc1ccc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1.
What is the InChIKey of 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is WNLJHZMUFBHSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29Br/c47-40-25-26-43-44(29-40)46(35-21-15-33(16-22-35)39-24-18-31-8-2-4-10-37(31)28-39)42-12-6-5-11-41(42)45(43)34-19-13-32(14-20-34)38-23-17-30-7-1-3-9-36(30)27-38/h1-29H.
What are the key properties of 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene?
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 661.64 g/mol, XLogP of 13.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 58121670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).