N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C36H33N — CID 22899856

IUPACN-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C36H33N/c1-26-5-15-31(16-6-26)36(32-17-7-27(2)8-18-32)25-30-13-23-35(24-14-30)37(33-19-9-28(3)10-20-33)34-21-11-29(4)12-22-34/h5-25H,1-4H3
InChIKeyIBPHREIZUGTJKC-UHFFFAOYSA-N
MW479.67 g/mol
LogP9.98
Rot. Bonds6

About N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 22899856) has the molecular formula C36H33N and a molecular weight of 479.67 g/mol. Its IUPAC name is N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID22899856
Molecular FormulaC36H33N
Molecular Weight479.67 g/mol
Exact Mass479.26
IUPAC NameN-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C36H33N/c1-26-5-15-31(16-6-26)36(32-17-7-27(2)8-18-32)25-30-13-23-35(24-14-30)37(33-19-9-28(3)10-20-33)34-21-11-29(4)12-22-34/h5-25H,1-4H3
InChIKeyIBPHREIZUGTJKC-UHFFFAOYSA-N
XLogP9.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 22899856) is N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is IBPHREIZUGTJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N/c1-26-5-15-31(16-6-26)36(32-17-7-27(2)8-18-32)25-30-13-23-35(24-14-30)37(33-19-9-28(3)10-20-33)34-21-11-29(4)12-22-34/h5-25H,1-4H3.
What are the key properties of N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 479.67 g/mol, XLogP of 9.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 22899856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).