5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine

C45H33N3 — CID 126638816

IUPAC5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine
SMILESC(=C\c1cc(/C=C\c2ccc(-c3ccccc3)nc2)cc(/C=C\c2ccc(-c3ccccc3)nc2)c1)\c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C45H33N3/c1-4-10-40(11-5-1)43-25-22-34(31-46-43)16-19-37-28-38(20-17-35-23-26-44(47-32-35)41-12-6-2-7-13-41)30-39(29-37)21-18-36-24-27-45(48-33-36)42-14-8-3-9-15-42/h1-33H/b19-16-,20-17-,21-18-
InChIKeyPNWRLNRSMRHAFB-JFJOQQEJSA-N
MW615.78 g/mol
LogP11.38
Rot. Bonds9

About 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine

5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine (PubChem CID 126638816) has the molecular formula C45H33N3 and a molecular weight of 615.78 g/mol. Its IUPAC name is 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine
PubChem CID126638816
Molecular FormulaC45H33N3
Molecular Weight615.78 g/mol
Exact Mass615.27
IUPAC Name5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine
SMILESC(=C\c1cc(/C=C\c2ccc(-c3ccccc3)nc2)cc(/C=C\c2ccc(-c3ccccc3)nc2)c1)\c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C45H33N3/c1-4-10-40(11-5-1)43-25-22-34(31-46-43)16-19-37-28-38(20-17-35-23-26-44(47-32-35)41-12-6-2-7-13-41)30-39(29-37)21-18-36-24-27-45(48-33-36)42-14-8-3-9-15-42/h1-33H/b19-16-,20-17-,21-18-
InChIKeyPNWRLNRSMRHAFB-JFJOQQEJSA-N
XLogP11.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.78
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine?
The IUPAC name of 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine (CID 126638816) is 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine.
What is the SMILES notation for 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine?
The canonical SMILES for 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine is C(=C\c1cc(/C=C\c2ccc(-c3ccccc3)nc2)cc(/C=C\c2ccc(-c3ccccc3)nc2)c1)\c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine?
The InChIKey is PNWRLNRSMRHAFB-JFJOQQEJSA-N. The full InChI is InChI=1S/C45H33N3/c1-4-10-40(11-5-1)43-25-22-34(31-46-43)16-19-37-28-38(20-17-35-23-26-44(47-32-35)41-12-6-2-7-13-41)30-39(29-37)21-18-36-24-27-45(48-33-36)42-14-8-3-9-15-42/h1-33H/b19-16-,20-17-,21-18-.
What are the key properties of 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine?
5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine has a molecular weight of 615.78 g/mol, XLogP of 11.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[3,5-bis[(Z)-2-(6-phenyl-3-pyridinyl)ethenyl]phenyl]ethenyl]-2-phenylpyridine is sourced from PubChem (CID 126638816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).