9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene

C38H23Br — CID 58321158

IUPAC9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
SMILESBrc1c2ccccc2c(-c2ccc(-c3c4ccccc4cc4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C38H23Br/c39-38-34-19-9-7-17-30(34)37(31-18-8-10-20-35(31)38)33-22-21-32(28-15-5-6-16-29(28)33)36-26-13-3-1-11-24(26)23-25-12-2-4-14-27(25)36/h1-23H
InChIKeyCNJNSFRZGDKTII-UHFFFAOYSA-N
MW559.51 g/mol
LogP11.55
Rot. Bonds2

About 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene

9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene (PubChem CID 58321158) has the molecular formula C38H23Br and a molecular weight of 559.51 g/mol. Its IUPAC name is 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene.

Molecular Properties

Compound Name9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
PubChem CID58321158
Molecular FormulaC38H23Br
Molecular Weight559.51 g/mol
Exact Mass558.10
IUPAC Name9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
SMILESBrc1c2ccccc2c(-c2ccc(-c3c4ccccc4cc4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C38H23Br/c39-38-34-19-9-7-17-30(34)37(31-18-8-10-20-35(31)38)33-22-21-32(28-15-5-6-16-29(28)33)36-26-13-3-1-11-24(26)23-25-12-2-4-14-27(25)36/h1-23H
InChIKeyCNJNSFRZGDKTII-UHFFFAOYSA-N
XLogP11.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.51
LogP ≤ 511.55
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

4-(10-bromoanthracen-9-yl)benzo[a]anthracene
CID 86676449
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
9-anthracen-9-yl-1,10-dibromoanthracene
CID 141260299
9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene
CID 142705051
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
9,10-di(anthracen-1-yl)anthracene
CID 58645093
9-bromoanthracene;9-naphthalen-1-ylanthracene;naphthalen-1-ylboronic acid
CID 158003519
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
7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 123375049
1,10-dinaphthalen-1-ylanthracene
CID 58645117
1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
CID 159641805
4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol
CID 122211768

Frequently Asked Questions

What is the IUPAC name of 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene?
The IUPAC name of 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene (CID 58321158) is 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene.
What is the SMILES notation for 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene?
The canonical SMILES for 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene is Brc1c2ccccc2c(-c2ccc(-c3c4ccccc4cc4ccccc34)c3ccccc23)c2ccccc12.
What is the InChIKey of 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene?
The InChIKey is CNJNSFRZGDKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23Br/c39-38-34-19-9-7-17-30(34)37(31-18-8-10-20-35(31)38)33-22-21-32(28-15-5-6-16-29(28)33)36-26-13-3-1-11-24(26)23-25-12-2-4-14-27(25)36/h1-23H.
What are the key properties of 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene?
9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene has a molecular weight of 559.51 g/mol, XLogP of 11.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene is sourced from PubChem (CID 58321158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).