6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline

C40H28N2 — CID 58099176

IUPAC6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2cc(-c3ccccc3)ccc2n1)\c1ccc(/C=C/c2ccc3cc(-c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C40H28N2/c1-3-7-31(8-4-1)33-19-25-39-35(27-33)17-23-37(41-39)21-15-29-11-13-30(14-12-29)16-22-38-24-18-36-28-34(20-26-40(36)42-38)32-9-5-2-6-10-32/h1-28H/b21-15+,22-16+
InChIKeyBVDCRHYHZCWSEV-YHARCJFQSA-N
MW536.68 g/mol
LogP10.46
Rot. Bonds6

About 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline

6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline (PubChem CID 58099176) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline
PubChem CID58099176
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2cc(-c3ccccc3)ccc2n1)\c1ccc(/C=C/c2ccc3cc(-c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C40H28N2/c1-3-7-31(8-4-1)33-19-25-39-35(27-33)17-23-37(41-39)21-15-29-11-13-30(14-12-29)16-22-38-24-18-36-28-34(20-26-40(36)42-38)32-9-5-2-6-10-32/h1-28H/b21-15+,22-16+
InChIKeyBVDCRHYHZCWSEV-YHARCJFQSA-N
XLogP10.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline?
The IUPAC name of 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline (CID 58099176) is 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline.
What is the SMILES notation for 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline?
The canonical SMILES for 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline is C(=C/c1ccc2cc(-c3ccccc3)ccc2n1)\c1ccc(/C=C/c2ccc3cc(-c4ccccc4)ccc3n2)cc1.
What is the InChIKey of 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline?
The InChIKey is BVDCRHYHZCWSEV-YHARCJFQSA-N. The full InChI is InChI=1S/C40H28N2/c1-3-7-31(8-4-1)33-19-25-39-35(27-33)17-23-37(41-39)21-15-29-11-13-30(14-12-29)16-22-38-24-18-36-28-34(20-26-40(36)42-38)32-9-5-2-6-10-32/h1-28H/b21-15+,22-16+.
What are the key properties of 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline?
6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline has a molecular weight of 536.68 g/mol, XLogP of 10.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[(E)-2-[4-[(E)-2-(6-phenylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 58099176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).