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

C50H42Br2N2 — CID 58789448

IUPAC2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc(-c4ccc5nc(-c6ccc(Br)cc6)cc(-c6ccc(C(C)(C)C)cc6)c5c4)cc23)cc1
InChIInChI=1S/C50H42Br2N2/c1-49(2,3)37-17-7-31(8-18-37)41-29-47(33-11-21-39(51)22-12-33)53-45-25-15-35(27-43(41)45)36-16-26-46-44(28-36)42(32-9-19-38(20-10-32)50(4,5)6)30-48(54-46)34-13-23-40(52)24-14-34/h7-30H,1-6H3
InChIKeyIIUFUQIIYFJTER-UHFFFAOYSA-N
MW830.71 g/mol
LogP15.24
Rot. Bonds5

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

2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline (PubChem CID 58789448) has the molecular formula C50H42Br2N2 and a molecular weight of 830.71 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline
PubChem CID58789448
Molecular FormulaC50H42Br2N2
Molecular Weight830.71 g/mol
Exact Mass828.17
IUPAC Name2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc(-c4ccc5nc(-c6ccc(Br)cc6)cc(-c6ccc(C(C)(C)C)cc6)c5c4)cc23)cc1
InChIInChI=1S/C50H42Br2N2/c1-49(2,3)37-17-7-31(8-18-37)41-29-47(33-11-21-39(51)22-12-33)53-45-25-15-35(27-43(41)45)36-16-26-46-44(28-36)42(32-9-19-38(20-10-32)50(4,5)6)30-48(54-46)34-13-23-40(52)24-14-34/h7-30H,1-6H3
InChIKeyIIUFUQIIYFJTER-UHFFFAOYSA-N
XLogP15.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.71
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline?
The IUPAC name of 2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline (CID 58789448) is 2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline.
What is the SMILES notation for 2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline?
The canonical SMILES for 2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline is CC(C)(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc(-c4ccc5nc(-c6ccc(Br)cc6)cc(-c6ccc(C(C)(C)C)cc6)c5c4)cc23)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline?
The InChIKey is IIUFUQIIYFJTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42Br2N2/c1-49(2,3)37-17-7-31(8-18-37)41-29-47(33-11-21-39(51)22-12-33)53-45-25-15-35(27-43(41)45)36-16-26-46-44(28-36)42(32-9-19-38(20-10-32)50(4,5)6)30-48(54-46)34-13-23-40(52)24-14-34/h7-30H,1-6H3.
What are the key properties of 2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline?
2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline has a molecular weight of 830.71 g/mol, XLogP of 15.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline is sourced from PubChem (CID 58789448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).