N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline

About N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline

N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline (PubChem CID 101360915) has the molecular formula C48H37N3 and a molecular weight of 655.85 g/mol. Its IUPAC name is N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline.

Molecular Properties

Compound Name	N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline
PubChem CID	101360915
Molecular Formula	C48H37N3
Molecular Weight	655.85 g/mol
Exact Mass	655.30
IUPAC Name	N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline
SMILES	C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4ccc(/C=C/c5ccncc5)cc4)cc3)cc2)cc1)\c1ccncc1
InChI	InChI=1S/C48H37N3/c1-2-4-46(5-3-1)51(47-26-22-42(23-27-47)16-14-38-6-10-40(11-7-38)18-20-44-30-34-49-35-31-44)48-28-24-43(25-29-48)17-15-39-8-12-41(13-9-39)19-21-45-32-36-50-37-33-45/h1-37H/b16-14+,17-15+,20-18+,21-19+
InChIKey	YSQPBHKOJXXQHI-AWTMNTJMSA-N
XLogP	12.63
TPSA	29.02 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	11
Heavy Atoms	51
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.85
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'stilbene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline?

The IUPAC name of N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline (CID 101360915) is N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline.

What is the SMILES notation for N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline?

The canonical SMILES for N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline is C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4ccc(/C=C/c5ccncc5)cc4)cc3)cc2)cc1)\c1ccncc1.

What is the InChIKey of N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline?

The InChIKey is YSQPBHKOJXXQHI-AWTMNTJMSA-N. The full InChI is InChI=1S/C48H37N3/c1-2-4-46(5-3-1)51(47-26-22-42(23-27-47)16-14-38-6-10-40(11-7-38)18-20-44-30-34-49-35-31-44)48-28-24-43(25-29-48)17-15-39-8-12-41(13-9-39)19-21-45-32-36-50-37-33-45/h1-37H/b16-14+,17-15+,20-18+,21-19+.

What are the key properties of N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline?

N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline has a molecular weight of 655.85 g/mol, XLogP of 12.63, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 101360915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).