3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline

C27H17Br2N — CID 3980990

IUPAC3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline
SMILESBrc1ccc(C=Cc2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C27H17Br2N/c28-22-12-6-18(7-13-22)5-8-21-17-26(20-9-14-23(29)15-10-20)30-25-16-11-19-3-1-2-4-24(19)27(21)25/h1-17H
InChIKeyODLJFLVWZAFYBH-UHFFFAOYSA-N
MW515.25 g/mol
LogP8.75
Rot. Bonds3

About 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline

3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline (PubChem CID 3980990) has the molecular formula C27H17Br2N and a molecular weight of 515.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline
PubChem CID3980990
Molecular FormulaC27H17Br2N
Molecular Weight515.25 g/mol
Exact Mass512.97
IUPAC Name3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline
SMILESBrc1ccc(C=Cc2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C27H17Br2N/c28-22-12-6-18(7-13-22)5-8-21-17-26(20-9-14-23(29)15-10-20)30-25-16-11-19-3-1-2-4-24(19)27(21)25/h1-17H
InChIKeyODLJFLVWZAFYBH-UHFFFAOYSA-N
XLogP8.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.25
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline
CID 4066078
1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
CID 2248141
3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline
CID 44613979
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
CID 142672624
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
1,3-bis(4-methoxyphenyl)benzo[f]quinoline
CID 17201995
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-ethylphenyl)-1-methylbenzo[f]quinoline
CID 3111566
2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol
CID 136732457
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine
CID 177476046

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline?
The IUPAC name of 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline (CID 3980990) is 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline.
What is the SMILES notation for 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline?
The canonical SMILES for 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline is Brc1ccc(C=Cc2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline?
The InChIKey is ODLJFLVWZAFYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Br2N/c28-22-12-6-18(7-13-22)5-8-21-17-26(20-9-14-23(29)15-10-20)30-25-16-11-19-3-1-2-4-24(19)27(21)25/h1-17H.
What are the key properties of 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline?
3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline has a molecular weight of 515.25 g/mol, XLogP of 8.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline is sourced from PubChem (CID 3980990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).