9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene

C40H25Br — CID 58321112

IUPAC9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
SMILESBrc1c2ccccc2c(-c2ccc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)cc2)c2ccccc12
InChIInChI=1S/C40H25Br/c41-40-36-15-7-5-13-34(36)39(35-14-6-8-16-37(35)40)29-23-19-27(20-24-29)26-17-21-28(22-18-26)38-32-11-3-1-9-30(32)25-31-10-2-4-12-33(31)38/h1-25H
InChIKeyOULSGHKARJWMSI-UHFFFAOYSA-N
MW585.54 g/mol
LogP12.06
Rot. Bonds3

About 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene

9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene (PubChem CID 58321112) has the molecular formula C40H25Br and a molecular weight of 585.54 g/mol. Its IUPAC name is 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene.

Molecular Properties

Compound Name9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
PubChem CID58321112
Molecular FormulaC40H25Br
Molecular Weight585.54 g/mol
Exact Mass584.11
IUPAC Name9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
SMILESBrc1c2ccccc2c(-c2ccc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)cc2)c2ccccc12
InChIInChI=1S/C40H25Br/c41-40-36-15-7-5-13-34(36)39(35-14-6-8-16-37(35)40)29-23-19-27(20-24-29)26-17-21-28(22-18-26)38-32-11-3-1-9-30(32)25-31-10-2-4-12-33(31)38/h1-25H
InChIKeyOULSGHKARJWMSI-UHFFFAOYSA-N
XLogP12.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.54
LogP ≤ 512.06
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-bromoanthracene;9-bromo-10-(4-phenylphenyl)anthracene;9-(4-phenylphenyl)anthracene;(4-phenylphenyl)boronic acid
CID 161175388
9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
CID 58321158
1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
CID 159641805
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene
CID 160689526
9-bromo-10-naphthalen-2-ylanthracene;9-(4-bromophenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-ylanthracene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid
CID 159162204
N,N,4-tris(4-anthracen-9-ylphenyl)aniline
CID 58383816
4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
CID 58383851
9-anthracen-9-yl-1,10-dibromoanthracene
CID 141260299
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782
N-(4-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene?
The IUPAC name of 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene (CID 58321112) is 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene.
What is the SMILES notation for 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene?
The canonical SMILES for 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene is Brc1c2ccccc2c(-c2ccc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)cc2)c2ccccc12.
What is the InChIKey of 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene?
The InChIKey is OULSGHKARJWMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25Br/c41-40-36-15-7-5-13-34(36)39(35-14-6-8-16-37(35)40)29-23-19-27(20-24-29)26-17-21-28(22-18-26)38-32-11-3-1-9-30(32)25-31-10-2-4-12-33(31)38/h1-25H.
What are the key properties of 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene?
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene has a molecular weight of 585.54 g/mol, XLogP of 12.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene is sourced from PubChem (CID 58321112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).