2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline

C74H72Br2N2 — CID 58789461

IUPAC2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline
SMILESCCCCC1(C)c2cc(-c3ccc4nc(-c5ccc(Br)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4c3)ccc2-c2ccc(-c3ccc4nc(-c5ccc(Br)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4c3)cc2C1(C)CCCC
InChIInChI=1S/C74H72Br2N2/c1-11-13-39-73(9)65-43-53(51-25-37-67-63(41-51)61(47-15-27-55(28-16-47)71(3,4)5)45-69(77-67)49-19-31-57(75)32-20-49)23-35-59(65)60-36-24-54(44-66(60)74(73,10)40-14-12-2)52-26-38-68-64(42-52)62(48-17-29-56(30-18-48)72(6,7)8)46-70(78-68)50-21-33-58(76)34-22-50/h15-38,41-46H,11-14,39-40H2,1-10H3
InChIKeyUJUVMIXJBILQGJ-UHFFFAOYSA-N
MW1149.21 g/mol
LogP22.48
Rot. Bonds12

About 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline

2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline (PubChem CID 58789461) has the molecular formula C74H72Br2N2 and a molecular weight of 1149.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline
PubChem CID58789461
Molecular FormulaC74H72Br2N2
Molecular Weight1149.21 g/mol
Exact Mass1146.41
IUPAC Name2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline
SMILESCCCCC1(C)c2cc(-c3ccc4nc(-c5ccc(Br)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4c3)ccc2-c2ccc(-c3ccc4nc(-c5ccc(Br)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4c3)cc2C1(C)CCCC
InChIInChI=1S/C74H72Br2N2/c1-11-13-39-73(9)65-43-53(51-25-37-67-63(41-51)61(47-15-27-55(28-16-47)71(3,4)5)45-69(77-67)49-19-31-57(75)32-20-49)23-35-59(65)60-36-24-54(44-66(60)74(73,10)40-14-12-2)52-26-38-68-64(42-52)62(48-17-29-56(30-18-48)72(6,7)8)46-70(78-68)50-21-33-58(76)34-22-50/h15-38,41-46H,11-14,39-40H2,1-10H3
InChIKeyUJUVMIXJBILQGJ-UHFFFAOYSA-N
XLogP22.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.21
LogP ≤ 522.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline?
The IUPAC name of 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline (CID 58789461) is 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline.
What is the SMILES notation for 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline?
The canonical SMILES for 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline is CCCCC1(C)c2cc(-c3ccc4nc(-c5ccc(Br)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4c3)ccc2-c2ccc(-c3ccc4nc(-c5ccc(Br)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4c3)cc2C1(C)CCCC.
What is the InChIKey of 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline?
The InChIKey is UJUVMIXJBILQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H72Br2N2/c1-11-13-39-73(9)65-43-53(51-25-37-67-63(41-51)61(47-15-27-55(28-16-47)71(3,4)5)45-69(77-67)49-19-31-57(75)32-20-49)23-35-59(65)60-36-24-54(44-66(60)74(73,10)40-14-12-2)52-26-38-68-64(42-52)62(48-17-29-56(30-18-48)72(6,7)8)46-70(78-68)50-21-33-58(76)34-22-50/h15-38,41-46H,11-14,39-40H2,1-10H3.
What are the key properties of 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline?
2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline has a molecular weight of 1149.21 g/mol, XLogP of 22.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-[7-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-9,10-dibutyl-9,10-dimethylphenanthren-2-yl]-4-(4-tert-butylphenyl)quinoline is sourced from PubChem (CID 58789461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).