2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline

C47H38N2O — CID 59685790

IUPAC2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc(C(C)(C)c4ccc5nc(-c6ccc(C)cc6)cc(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C47H38N2O/c1-31-15-17-34(18-16-31)45-29-39(32-11-7-5-8-12-32)41-27-36(21-25-43(41)48-45)47(2,3)37-22-26-44-42(28-37)40(33-13-9-6-10-14-33)30-46(49-44)35-19-23-38(50-4)24-20-35/h5-30H,1-4H3
InChIKeyDTSNWANPXXKTQL-UHFFFAOYSA-N
MW646.83 g/mol
LogP12.09
Rot. Bonds7

About 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline

2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline (PubChem CID 59685790) has the molecular formula C47H38N2O and a molecular weight of 646.83 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline
PubChem CID59685790
Molecular FormulaC47H38N2O
Molecular Weight646.83 g/mol
Exact Mass646.30
IUPAC Name2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc(C(C)(C)c4ccc5nc(-c6ccc(C)cc6)cc(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C47H38N2O/c1-31-15-17-34(18-16-31)45-29-39(32-11-7-5-8-12-32)41-27-36(21-25-43(41)48-45)47(2,3)37-22-26-44-42(28-37)40(33-13-9-6-10-14-33)30-46(49-44)35-19-23-38(50-4)24-20-35/h5-30H,1-4H3
InChIKeyDTSNWANPXXKTQL-UHFFFAOYSA-N
XLogP12.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)quinoline
CID 11825462
4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline
CID 130392309
7-methyl-2,4-diphenylquinoline
CID 13048584
4-(4-methoxyphenyl)-6-methyl-N-phenylquinolin-2-amine
CID 139231045
1,3-bis(4-methoxyphenyl)benzo[f]quinoline
CID 17201995

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline?
The IUPAC name of 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline (CID 59685790) is 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline is COc1ccc(-c2cc(-c3ccccc3)c3cc(C(C)(C)c4ccc5nc(-c6ccc(C)cc6)cc(-c6ccccc6)c5c4)ccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline?
The InChIKey is DTSNWANPXXKTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2O/c1-31-15-17-34(18-16-31)45-29-39(32-11-7-5-8-12-32)41-27-36(21-25-43(41)48-45)47(2,3)37-22-26-44-42(28-37)40(33-13-9-6-10-14-33)30-46(49-44)35-19-23-38(50-4)24-20-35/h5-30H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline?
2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline has a molecular weight of 646.83 g/mol, XLogP of 12.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline is sourced from PubChem (CID 59685790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).