1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene

C40H26Br2 — CID 159641805

IUPAC1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
SMILESBrc1c2ccccc2c(-c2ccccc2)c2ccccc12.Brc1cccc2c(-c3ccccc3)c3ccccc3cc12
InChIInChI=1S/2C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;21-19-12-6-11-17-18(19)13-15-9-4-5-10-16(15)20(17)14-7-2-1-3-8-14/h2*1-13H
InChIKeyMQLJDNQLOSIAFW-UHFFFAOYSA-N
MW666.46 g/mol
LogP12.85
Rot. Bonds2

About 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene

1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene (PubChem CID 159641805) has the molecular formula C40H26Br2 and a molecular weight of 666.46 g/mol. Its IUPAC name is 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene.

Molecular Properties

Compound Name1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
PubChem CID159641805
Molecular FormulaC40H26Br2
Molecular Weight666.46 g/mol
Exact Mass664.04
IUPAC Name1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
SMILESBrc1c2ccccc2c(-c2ccccc2)c2ccccc12.Brc1cccc2c(-c3ccccc3)c3ccccc3cc12
InChIInChI=1S/2C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;21-19-12-6-11-17-18(19)13-15-9-4-5-10-16(15)20(17)14-7-2-1-3-8-14/h2*1-13H
InChIKeyMQLJDNQLOSIAFW-UHFFFAOYSA-N
XLogP12.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.46
LogP ≤ 512.85
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-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-anthracen-9-yl-1,10-dibromoanthracene
CID 141260299
1-iodo-10-phenylanthracene
CID 141156342
9-bromoanthracene;9-bromo-10-(4-phenylphenyl)anthracene;9-(4-phenylphenyl)anthracene;(4-phenylphenyl)boronic acid
CID 161175388
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782
9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
CID 58321158
7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene
CID 59412706
15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
CID 87763316
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene
CID 164709035
9-bromo-2-chloro-10-phenylanthracene
CID 90194805

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene?
The IUPAC name of 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene (CID 159641805) is 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene.
What is the SMILES notation for 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene?
The canonical SMILES for 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene is Brc1c2ccccc2c(-c2ccccc2)c2ccccc12.Brc1cccc2c(-c3ccccc3)c3ccccc3cc12.
What is the InChIKey of 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene?
The InChIKey is MQLJDNQLOSIAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;21-19-12-6-11-17-18(19)13-15-9-4-5-10-16(15)20(17)14-7-2-1-3-8-14/h2*1-13H.
What are the key properties of 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene?
1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene has a molecular weight of 666.46 g/mol, XLogP of 12.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene is sourced from PubChem (CID 159641805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).