2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline

C50H42Br2N2 — CID 58789464

IUPAC2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline
SMILESCCCCc1ccc(-c2cc(-c3cccc(Br)c3)nc3ccc(-c4ccc5nc(-c6cccc(Br)c6)cc(-c6ccc(CCCC)cc6)c5c4)cc23)cc1
InChIInChI=1S/C50H42Br2N2/c1-3-5-9-33-15-19-35(20-16-33)43-31-49(39-11-7-13-41(51)27-39)53-47-25-23-37(29-45(43)47)38-24-26-48-46(30-38)44(36-21-17-34(18-22-36)10-6-4-2)32-50(54-48)40-12-8-14-42(52)28-40/h7-8,11-32H,3-6,9-10H2,1-2H3
InChIKeyVOBDBDRUXHEQMZ-UHFFFAOYSA-N
MW830.71 g/mol
LogP15.33
Rot. Bonds11

About 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline

2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline (PubChem CID 58789464) has the molecular formula C50H42Br2N2 and a molecular weight of 830.71 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline
PubChem CID58789464
Molecular FormulaC50H42Br2N2
Molecular Weight830.71 g/mol
Exact Mass828.17
IUPAC Name2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline
SMILESCCCCc1ccc(-c2cc(-c3cccc(Br)c3)nc3ccc(-c4ccc5nc(-c6cccc(Br)c6)cc(-c6ccc(CCCC)cc6)c5c4)cc23)cc1
InChIInChI=1S/C50H42Br2N2/c1-3-5-9-33-15-19-35(20-16-33)43-31-49(39-11-7-13-41(51)27-39)53-47-25-23-37(29-45(43)47)38-24-26-48-46(30-38)44(36-21-17-34(18-22-36)10-6-4-2)32-50(54-48)40-12-8-14-42(52)28-40/h7-8,11-32H,3-6,9-10H2,1-2H3
InChIKeyVOBDBDRUXHEQMZ-UHFFFAOYSA-N
XLogP15.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.71
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline?
The IUPAC name of 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline (CID 58789464) is 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline.
What is the SMILES notation for 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline?
The canonical SMILES for 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline is CCCCc1ccc(-c2cc(-c3cccc(Br)c3)nc3ccc(-c4ccc5nc(-c6cccc(Br)c6)cc(-c6ccc(CCCC)cc6)c5c4)cc23)cc1.
What is the InChIKey of 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline?
The InChIKey is VOBDBDRUXHEQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42Br2N2/c1-3-5-9-33-15-19-35(20-16-33)43-31-49(39-11-7-13-41(51)27-39)53-47-25-23-37(29-45(43)47)38-24-26-48-46(30-38)44(36-21-17-34(18-22-36)10-6-4-2)32-50(54-48)40-12-8-14-42(52)28-40/h7-8,11-32H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline?
2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline has a molecular weight of 830.71 g/mol, XLogP of 15.33, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-[2-(3-bromophenyl)-4-(4-butylphenyl)quinolin-6-yl]-4-(4-butylphenyl)quinoline is sourced from PubChem (CID 58789464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).