10-(4-bromophenyl)-2,9-diphenylanthracene

C32H21Br — CID 130365947

IUPAC10-(4-bromophenyl)-2,9-diphenylanthracene
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C32H21Br/c33-26-18-15-24(16-19-26)31-27-13-7-8-14-28(27)32(23-11-5-2-6-12-23)30-21-25(17-20-29(30)31)22-9-3-1-4-10-22/h1-21H
InChIKeyMFUSCBIZTSRBOI-UHFFFAOYSA-N
MW485.42 g/mol
LogP9.76
Rot. Bonds3

About 10-(4-bromophenyl)-2,9-diphenylanthracene

10-(4-bromophenyl)-2,9-diphenylanthracene (PubChem CID 130365947) has the molecular formula C32H21Br and a molecular weight of 485.42 g/mol. Its IUPAC name is 10-(4-bromophenyl)-2,9-diphenylanthracene.

Molecular Properties

Compound Name10-(4-bromophenyl)-2,9-diphenylanthracene
PubChem CID130365947
Molecular FormulaC32H21Br
Molecular Weight485.42 g/mol
Exact Mass484.08
IUPAC Name10-(4-bromophenyl)-2,9-diphenylanthracene
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C32H21Br/c33-26-18-15-24(16-19-26)31-27-13-7-8-14-28(27)32(23-11-5-2-6-12-23)30-21-25(17-20-29(30)31)22-9-3-1-4-10-22/h1-21H
InChIKeyMFUSCBIZTSRBOI-UHFFFAOYSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 59.76
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

2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-bromo-9,10-diphenylanthracene
CID 22247163
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene
CID 142716263

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-2,9-diphenylanthracene?
The IUPAC name of 10-(4-bromophenyl)-2,9-diphenylanthracene (CID 130365947) is 10-(4-bromophenyl)-2,9-diphenylanthracene.
What is the SMILES notation for 10-(4-bromophenyl)-2,9-diphenylanthracene?
The canonical SMILES for 10-(4-bromophenyl)-2,9-diphenylanthracene is Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4)ccc23)cc1.
What is the InChIKey of 10-(4-bromophenyl)-2,9-diphenylanthracene?
The InChIKey is MFUSCBIZTSRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Br/c33-26-18-15-24(16-19-26)31-27-13-7-8-14-28(27)32(23-11-5-2-6-12-23)30-21-25(17-20-29(30)31)22-9-3-1-4-10-22/h1-21H.
What are the key properties of 10-(4-bromophenyl)-2,9-diphenylanthracene?
10-(4-bromophenyl)-2,9-diphenylanthracene has a molecular weight of 485.42 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)-2,9-diphenylanthracene is sourced from PubChem (CID 130365947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).