7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline

C38H25F3N2 — CID 170295226

IUPAC7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline
SMILESCc1cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cnc7ccccc7c6)cc5)cnc4c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C38H25F3N2/c1-24-16-32(20-35(17-24)38(39,40)41)26-8-6-25(7-9-26)29-14-15-31-19-34(23-43-37(31)21-29)28-12-10-27(11-13-28)33-18-30-4-2-3-5-36(30)42-22-33/h2-23H,1H3
InChIKeyVECWLEVKCOAGOL-UHFFFAOYSA-N
MW566.63 g/mol
LogP10.78
Rot. Bonds4

About 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline

7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline (PubChem CID 170295226) has the molecular formula C38H25F3N2 and a molecular weight of 566.63 g/mol. Its IUPAC name is 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline.

Molecular Properties

Compound Name7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline
PubChem CID170295226
Molecular FormulaC38H25F3N2
Molecular Weight566.63 g/mol
Exact Mass566.20
IUPAC Name7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline
SMILESCc1cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cnc7ccccc7c6)cc5)cnc4c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C38H25F3N2/c1-24-16-32(20-35(17-24)38(39,40)41)26-8-6-25(7-9-26)29-14-15-31-19-34(23-43-37(31)21-29)28-12-10-27(11-13-28)33-18-30-4-2-3-5-36(30)42-22-33/h2-23H,1H3
InChIKeyVECWLEVKCOAGOL-UHFFFAOYSA-N
XLogP10.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.63
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
CID 169293936
7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
CID 169293842
trimethyl-[4-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]phenyl]silane
CID 169293948
trimethyl-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]silane
CID 169293955
7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline
CID 169293501
[4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane
CID 170294753
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
CID 169293894
3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline?
The IUPAC name of 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline (CID 170295226) is 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline.
What is the SMILES notation for 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline?
The canonical SMILES for 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline is Cc1cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cnc7ccccc7c6)cc5)cnc4c3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline?
The InChIKey is VECWLEVKCOAGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25F3N2/c1-24-16-32(20-35(17-24)38(39,40)41)26-8-6-25(7-9-26)29-14-15-31-19-34(23-43-37(31)21-29)28-12-10-27(11-13-28)33-18-30-4-2-3-5-36(30)42-22-33/h2-23H,1H3.
What are the key properties of 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline?
7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline has a molecular weight of 566.63 g/mol, XLogP of 10.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline is sourced from PubChem (CID 170295226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).