4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline

C34H34N2 — CID 145464866

IUPAC4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(NCC)cc3)cc2)c(CCc2ccccc2)c1C=C
InChIInChI=1S/C34H34N2/c1-5-12-33-31(7-3)30(6-2)32(24-15-25-13-10-9-11-14-25)34(36-33)28-18-16-26(17-19-28)27-20-22-29(23-21-27)35-8-4/h5-7,9-14,16-23,35H,2-3,8,15,24H2,1,4H3/b12-5-
InChIKeyGVRSYFSTQSCWQP-XGICHPGQSA-N
MW470.66 g/mol
LogP8.95
Rot. Bonds10

About 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline

4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline (PubChem CID 145464866) has the molecular formula C34H34N2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline.

Molecular Properties

Compound Name4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline
PubChem CID145464866
Molecular FormulaC34H34N2
Molecular Weight470.66 g/mol
Exact Mass470.27
IUPAC Name4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(NCC)cc3)cc2)c(CCc2ccccc2)c1C=C
InChIInChI=1S/C34H34N2/c1-5-12-33-31(7-3)30(6-2)32(24-15-25-13-10-9-11-14-25)34(36-33)28-18-16-26(17-19-28)27-20-22-29(23-21-27)35-8-4/h5-7,9-14,16-23,35H,2-3,8,15,24H2,1,4H3/b12-5-
InChIKeyGVRSYFSTQSCWQP-XGICHPGQSA-N
XLogP8.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline?
The IUPAC name of 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline (CID 145464866) is 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline.
What is the SMILES notation for 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline?
The canonical SMILES for 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline is C=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(NCC)cc3)cc2)c(CCc2ccccc2)c1C=C.
What is the InChIKey of 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline?
The InChIKey is GVRSYFSTQSCWQP-XGICHPGQSA-N. The full InChI is InChI=1S/C34H34N2/c1-5-12-33-31(7-3)30(6-2)32(24-15-25-13-10-9-11-14-25)34(36-33)28-18-16-26(17-19-28)27-20-22-29(23-21-27)35-8-4/h5-7,9-14,16-23,35H,2-3,8,15,24H2,1,4H3/b12-5-.
What are the key properties of 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline?
4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline has a molecular weight of 470.66 g/mol, XLogP of 8.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline is sourced from PubChem (CID 145464866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).