9-anthracen-9-yl-1,10-dibromoanthracene

C28H16Br2 — CID 141260299

IUPAC9-anthracen-9-yl-1,10-dibromoanthracene
SMILESBrc1c2ccccc2c(-c2c3ccccc3cc3ccccc23)c2c(Br)cccc12
InChIInChI=1S/C28H16Br2/c29-24-15-7-14-23-26(24)27(21-12-5-6-13-22(21)28(23)30)25-19-10-3-1-8-17(19)16-18-9-2-4-11-20(18)25/h1-16H
InChIKeyKWEVWCBJIWNFHE-UHFFFAOYSA-N
MW512.24 g/mol
LogP9.49
Rot. Bonds1

About 9-anthracen-9-yl-1,10-dibromoanthracene

9-anthracen-9-yl-1,10-dibromoanthracene (PubChem CID 141260299) has the molecular formula C28H16Br2 and a molecular weight of 512.24 g/mol. Its IUPAC name is 9-anthracen-9-yl-1,10-dibromoanthracene.

Molecular Properties

Compound Name9-anthracen-9-yl-1,10-dibromoanthracene
PubChem CID141260299
Molecular FormulaC28H16Br2
Molecular Weight512.24 g/mol
Exact Mass509.96
IUPAC Name9-anthracen-9-yl-1,10-dibromoanthracene
SMILESBrc1c2ccccc2c(-c2c3ccccc3cc3ccccc23)c2c(Br)cccc12
InChIInChI=1S/C28H16Br2/c29-24-15-7-14-23-26(24)27(21-12-5-6-13-22(21)28(23)30)25-19-10-3-1-8-17(19)16-18-9-2-4-11-20(18)25/h1-16H
InChIKeyKWEVWCBJIWNFHE-UHFFFAOYSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.24
LogP ≤ 59.49
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-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
CID 58321158
1,9,10-tribromoanthracene
CID 151469472
1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
CID 159641805
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
1-bromoanthracen-9-ol;methane
CID 21197331
4-(10-bromoanthracen-9-yl)benzo[a]anthracene
CID 86676449
21-bromohexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(25),2,4,6,8,10,12,14(26),15,17,19,21,23-tridecaene
CID 170265949
9-anthracen-9-ylanthracen-1-amine
CID 139789956
2-(1-bromoanthracen-9-yl)-4-chloroaniline
CID 142720472
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
7,12-di(anthracen-9-yl)benzo[j]phenanthridine
CID 59183577
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-9-yl-1,10-dibromoanthracene?
The IUPAC name of 9-anthracen-9-yl-1,10-dibromoanthracene (CID 141260299) is 9-anthracen-9-yl-1,10-dibromoanthracene.
What is the SMILES notation for 9-anthracen-9-yl-1,10-dibromoanthracene?
The canonical SMILES for 9-anthracen-9-yl-1,10-dibromoanthracene is Brc1c2ccccc2c(-c2c3ccccc3cc3ccccc23)c2c(Br)cccc12.
What is the InChIKey of 9-anthracen-9-yl-1,10-dibromoanthracene?
The InChIKey is KWEVWCBJIWNFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Br2/c29-24-15-7-14-23-26(24)27(21-12-5-6-13-22(21)28(23)30)25-19-10-3-1-8-17(19)16-18-9-2-4-11-20(18)25/h1-16H.
What are the key properties of 9-anthracen-9-yl-1,10-dibromoanthracene?
9-anthracen-9-yl-1,10-dibromoanthracene has a molecular weight of 512.24 g/mol, XLogP of 9.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthracen-9-yl-1,10-dibromoanthracene is sourced from PubChem (CID 141260299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).