N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline

C38H27Br2N — CID 132556766

IUPACN,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C38H27Br2N/c39-32-18-24-35(25-19-32)41(36-26-20-33(40)21-27-36)34-22-16-31(17-23-34)38(30-14-8-3-9-15-30)37(28-10-4-1-5-11-28)29-12-6-2-7-13-29/h1-27H
InChIKeyOWRCBZFNCBQZRX-UHFFFAOYSA-N
MW657.45 g/mol
LogP11.69
Rot. Bonds7

About N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline

N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline (PubChem CID 132556766) has the molecular formula C38H27Br2N and a molecular weight of 657.45 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
PubChem CID132556766
Molecular FormulaC38H27Br2N
Molecular Weight657.45 g/mol
Exact Mass655.05
IUPAC NameN,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C38H27Br2N/c39-32-18-24-35(25-19-32)41(36-26-20-33(40)21-27-36)34-22-16-31(17-23-34)38(30-14-8-3-9-15-30)37(28-10-4-1-5-11-28)29-12-6-2-7-13-29/h1-27H
InChIKeyOWRCBZFNCBQZRX-UHFFFAOYSA-N
XLogP11.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.45
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
CID 141454768
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
CID 156703039
4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline
CID 70987021
6-[(E)-1,2-diphenyl-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]-N,N-diphenylnaphthalen-2-amine
CID 58667564
4-[2-[4-[10-[4-[1,2-diphenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anthracen-9-yl]phenyl]-1,2-diphenylethenyl]-N,N-diphenylaniline
CID 72511527
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
4-[4-[(Z)-2-(4-ethylphenyl)-1-phenyl-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]-N,N-diphenylaniline
CID 134394669
N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline
CID 122219455
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(4-bromophenyl)benzene-1,3,5-triamine
CID 134943535

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline?
The IUPAC name of N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline (CID 132556766) is N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline?
The InChIKey is OWRCBZFNCBQZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27Br2N/c39-32-18-24-35(25-19-32)41(36-26-20-33(40)21-27-36)34-22-16-31(17-23-34)38(30-14-8-3-9-15-30)37(28-10-4-1-5-11-28)29-12-6-2-7-13-29/h1-27H.
What are the key properties of N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline?
N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline has a molecular weight of 657.45 g/mol, XLogP of 11.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline is sourced from PubChem (CID 132556766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).