N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline

C49H41N — CID 71344437

IUPACN,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C49H41N/c1-36-32-37(2)49(38(3)33-36)50(45-28-24-39(25-29-45)34-47(41-16-8-4-9-17-41)42-18-10-5-11-19-42)46-30-26-40(27-31-46)35-48(43-20-12-6-13-21-43)44-22-14-7-15-23-44/h4-35H,1-3H3
InChIKeyQWYMGTFVBPBFPW-UHFFFAOYSA-N
MW643.87 g/mol
LogP13.26
Rot. Bonds9

About N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline

N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline (PubChem CID 71344437) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
PubChem CID71344437
Molecular FormulaC49H41N
Molecular Weight643.87 g/mol
Exact Mass643.32
IUPAC NameN,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C49H41N/c1-36-32-37(2)49(38(3)33-36)50(45-28-24-39(25-29-45)34-47(41-16-8-4-9-17-41)42-18-10-5-11-19-42)46-30-26-40(27-31-46)35-48(43-20-12-6-13-21-43)44-22-14-7-15-23-44/h4-35H,1-3H3
InChIKeyQWYMGTFVBPBFPW-UHFFFAOYSA-N
XLogP13.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 513.26
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

N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline
CID 131974098
N-[4-[(E)-2-[3-[(E)-2-[4-[4-(2,2-diphenylethenyl)-N-(2-ethyl-4,6-dimethylphenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 89319302
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 20762376
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline?
The IUPAC name of N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline (CID 71344437) is N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline?
The canonical SMILES for N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline is Cc1cc(C)c(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline?
The InChIKey is QWYMGTFVBPBFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N/c1-36-32-37(2)49(38(3)33-36)50(45-28-24-39(25-29-45)34-47(41-16-8-4-9-17-41)42-18-10-5-11-19-42)46-30-26-40(27-31-46)35-48(43-20-12-6-13-21-43)44-22-14-7-15-23-44/h4-35H,1-3H3.
What are the key properties of N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline?
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline has a molecular weight of 643.87 g/mol, XLogP of 13.26, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 71344437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).