N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline

C41H32N2 — CID 59086901

IUPACN-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline
SMILESC(=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)C=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C41H32N2/c1-5-17-34(18-6-1)39(41-26-13-14-31-42-41)25-15-16-33-27-29-38(30-28-33)43(37-23-11-4-12-24-37)32-40(35-19-7-2-8-20-35)36-21-9-3-10-22-36/h1-32H
InChIKeyHRXRPAXKSJGCCJ-UHFFFAOYSA-N
MW552.72 g/mol
LogP10.45
Rot. Bonds9

About N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline

N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline (PubChem CID 59086901) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline.

Molecular Properties

Compound NameN-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline
PubChem CID59086901
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC NameN-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline
SMILESC(=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)C=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C41H32N2/c1-5-17-34(18-6-1)39(41-26-13-14-31-42-41)25-15-16-33-27-29-38(30-28-33)43(37-23-11-4-12-24-37)32-40(35-19-7-2-8-20-35)36-21-9-3-10-22-36/h1-32H
InChIKeyHRXRPAXKSJGCCJ-UHFFFAOYSA-N
XLogP10.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline
CID 76826404
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
N-[2,2-bis(4-bromophenyl)ethenyl]-4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-phenylaniline
CID 23517941
N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline
CID 23517958
4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline
CID 76826398
N-[2,2-bis(4-methylphenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517965
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
N-[2,2-bis(4-chlorophenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517949
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]-N-phenylaniline
CID 87948616
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-diphenylaniline
CID 23069421
4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde
CID 163697642
4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-[4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]phenyl]-N-phenylaniline
CID 91386727

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline?
The IUPAC name of N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline (CID 59086901) is N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline.
What is the SMILES notation for N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline?
The canonical SMILES for N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline is C(=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)C=C(c1ccccc1)c1ccccn1.
What is the InChIKey of N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline?
The InChIKey is HRXRPAXKSJGCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-5-17-34(18-6-1)39(41-26-13-14-31-42-41)25-15-16-33-27-29-38(30-28-33)43(37-23-11-4-12-24-37)32-40(35-19-7-2-8-20-35)36-21-9-3-10-22-36/h1-32H.
What are the key properties of N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline?
N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline has a molecular weight of 552.72 g/mol, XLogP of 10.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline is sourced from PubChem (CID 59086901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).