6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline

C44H26Br2N2 — CID 153328364

IUPAC6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline
SMILESBrc1ccc2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7cc(Br)ccc7n6)cc5)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C44H26Br2N2/c45-33-19-23-41-31(25-33)17-21-39(47-41)27-9-13-29(14-10-27)43-35-5-1-2-6-36(35)44(38-8-4-3-7-37(38)43)30-15-11-28(12-16-30)40-22-18-32-26-34(46)20-24-42(32)48-40/h1-26H
InChIKeyJJDDZRAITXMDLD-UHFFFAOYSA-N
MW742.51 g/mol
LogP13.28
Rot. Bonds4

About 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline

6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline (PubChem CID 153328364) has the molecular formula C44H26Br2N2 and a molecular weight of 742.51 g/mol. Its IUPAC name is 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline.

Molecular Properties

Compound Name6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline
PubChem CID153328364
Molecular FormulaC44H26Br2N2
Molecular Weight742.51 g/mol
Exact Mass740.05
IUPAC Name6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline
SMILESBrc1ccc2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7cc(Br)ccc7n6)cc5)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C44H26Br2N2/c45-33-19-23-41-31(25-33)17-21-39(47-41)27-9-13-29(14-10-27)43-35-5-1-2-6-36(35)44(38-8-4-3-7-37(38)43)30-15-11-28(12-16-30)40-22-18-32-26-34(46)20-24-42(32)48-40/h1-26H
InChIKeyJJDDZRAITXMDLD-UHFFFAOYSA-N
XLogP13.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.51
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 139364165
6-(6-bromoquinolin-2-yl)benzo[h]quinoline
CID 129208702
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
2-[4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 156545444
2-bromo-9,10-diphenylanthracene
CID 22247163
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323
2-[10-(4-anthracen-9-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline
CID 134596726
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
6-(4-fluorophenyl)-2-phenylquinoline
CID 122365285

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline?
The IUPAC name of 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline (CID 153328364) is 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline.
What is the SMILES notation for 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline?
The canonical SMILES for 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline is Brc1ccc2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7cc(Br)ccc7n6)cc5)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline?
The InChIKey is JJDDZRAITXMDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26Br2N2/c45-33-19-23-41-31(25-33)17-21-39(47-41)27-9-13-29(14-10-27)43-35-5-1-2-6-36(35)44(38-8-4-3-7-37(38)43)30-15-11-28(12-16-30)40-22-18-32-26-34(46)20-24-42(32)48-40/h1-26H.
What are the key properties of 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline?
6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline has a molecular weight of 742.51 g/mol, XLogP of 13.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline is sourced from PubChem (CID 153328364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).