6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline

C40H24F4N2 — CID 58099171

IUPAC6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline
SMILESFc1ccc(-c2ccc3nc(/C=C/c4ccc(/C=C/c5ccc6cc(-c7ccc(F)cc7F)ccc6n5)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C40H24F4N2/c41-31-11-17-35(37(43)23-31)27-9-19-39-29(21-27)7-15-33(45-39)13-5-25-1-2-26(4-3-25)6-14-34-16-8-30-22-28(10-20-40(30)46-34)36-18-12-32(42)24-38(36)44/h1-24H/b13-5+,14-6+
InChIKeyDCYHRXYWNUBGMQ-ACFHMISVSA-N
MW608.64 g/mol
LogP11.01
Rot. Bonds6

About 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline

6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline (PubChem CID 58099171) has the molecular formula C40H24F4N2 and a molecular weight of 608.64 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline
PubChem CID58099171
Molecular FormulaC40H24F4N2
Molecular Weight608.64 g/mol
Exact Mass608.19
IUPAC Name6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline
SMILESFc1ccc(-c2ccc3nc(/C=C/c4ccc(/C=C/c5ccc6cc(-c7ccc(F)cc7F)ccc6n5)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C40H24F4N2/c41-31-11-17-35(37(43)23-31)27-9-19-39-29(21-27)7-15-33(45-39)13-5-25-1-2-26(4-3-25)6-14-34-16-8-30-22-28(10-20-40(30)46-34)36-18-12-32(42)24-38(36)44/h1-24H/b13-5+,14-6+
InChIKeyDCYHRXYWNUBGMQ-ACFHMISVSA-N
XLogP11.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.64
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline?
The IUPAC name of 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline (CID 58099171) is 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline is Fc1ccc(-c2ccc3nc(/C=C/c4ccc(/C=C/c5ccc6cc(-c7ccc(F)cc7F)ccc6n5)cc4)ccc3c2)c(F)c1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline?
The InChIKey is DCYHRXYWNUBGMQ-ACFHMISVSA-N. The full InChI is InChI=1S/C40H24F4N2/c41-31-11-17-35(37(43)23-31)27-9-19-39-29(21-27)7-15-33(45-39)13-5-25-1-2-26(4-3-25)6-14-34-16-8-30-22-28(10-20-40(30)46-34)36-18-12-32(42)24-38(36)44/h1-24H/b13-5+,14-6+.
What are the key properties of 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline?
6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline has a molecular weight of 608.64 g/mol, XLogP of 11.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-[(E)-2-[4-[(E)-2-[6-(2,4-difluorophenyl)quinolin-2-yl]ethenyl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 58099171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).