bis(N-phenylaniline);1,2,2-triphenylethenylbenzene

C50H42N2 — CID 159300087

IUPACbis(N-phenylaniline);1,2,2-triphenylethenylbenzene
SMILESc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C26H20.2C12H11N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-20H;2*1-10,13H
InChIKeyLBFJYQMCHWHRGH-UHFFFAOYSA-N
MW670.90 g/mol
LogP13.55
Rot. Bonds8

About bis(N-phenylaniline);1,2,2-triphenylethenylbenzene

bis(N-phenylaniline);1,2,2-triphenylethenylbenzene (PubChem CID 159300087) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is bis(N-phenylaniline);1,2,2-triphenylethenylbenzene.

Molecular Properties

Compound Namebis(N-phenylaniline);1,2,2-triphenylethenylbenzene
PubChem CID159300087
Molecular FormulaC50H42N2
Molecular Weight670.90 g/mol
Exact Mass670.33
IUPAC Namebis(N-phenylaniline);1,2,2-triphenylethenylbenzene
SMILESc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C26H20.2C12H11N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-20H;2*1-10,13H
InChIKeyLBFJYQMCHWHRGH-UHFFFAOYSA-N
XLogP13.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 513.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
azane;N-phenylaniline
CID 67074378
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
hydrazine;N-phenylaniline
CID 159755629
1,1-difluoroethene;N-phenylaniline
CID 175173437
N-phenylaniline;sulfuric acid
CID 11486
dihydroxy(oxo)phosphanium;N-phenylaniline
CID 174642571
tris(N-phenylaniline);trihydroxy(sulfanylidene)-λ5-phosphane
CID 175486042
4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline
CID 66688569
CID 175904297
CID 175904297
phenol;1,2,2-triphenylethenylbenzene
CID 159416986

Frequently Asked Questions

What is the IUPAC name of bis(N-phenylaniline);1,2,2-triphenylethenylbenzene?
The IUPAC name of bis(N-phenylaniline);1,2,2-triphenylethenylbenzene (CID 159300087) is bis(N-phenylaniline);1,2,2-triphenylethenylbenzene.
What is the SMILES notation for bis(N-phenylaniline);1,2,2-triphenylethenylbenzene?
The canonical SMILES for bis(N-phenylaniline);1,2,2-triphenylethenylbenzene is c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of bis(N-phenylaniline);1,2,2-triphenylethenylbenzene?
The InChIKey is LBFJYQMCHWHRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20.2C12H11N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-20H;2*1-10,13H.
What are the key properties of bis(N-phenylaniline);1,2,2-triphenylethenylbenzene?
bis(N-phenylaniline);1,2,2-triphenylethenylbenzene has a molecular weight of 670.90 g/mol, XLogP of 13.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-phenylaniline);1,2,2-triphenylethenylbenzene is sourced from PubChem (CID 159300087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).