N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine

C33H27N — CID 118104132

IUPACN-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine
SMILESC=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C33H27N/c1-3-26-20-23-33(31-17-11-10-16-30(26)31)34(29-21-18-25(2)19-22-29)24-32(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h3-24H,1H2,2H3
InChIKeyFCJAKWSMOPZUGD-UHFFFAOYSA-N
MW437.59 g/mol
LogP9.02
Rot. Bonds6

About N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine

N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine (PubChem CID 118104132) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine
PubChem CID118104132
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC NameN-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine
SMILESC=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C33H27N/c1-3-26-20-23-33(31-17-11-10-16-30(26)31)34(29-21-18-25(2)19-22-29)24-32(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h3-24H,1H2,2H3
InChIKeyFCJAKWSMOPZUGD-UHFFFAOYSA-N
XLogP9.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline
CID 59408570
N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine
CID 121323870
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 161213338
4-[(1E,3E)-4-[4-[N-(2,2-diphenylethenyl)anilino]phenyl]buta-1,3-dienyl]-N,N-bis(2-methylphenyl)naphthalen-1-amine
CID 122627670
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569
N-[4-[4-(2,4-dimethyl-N-[(E)-2-[4-[[4-(N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl]phenyl]-2-phenylethenyl]anilino)phenyl]phenyl]-N-(2,2-diphenylethenyl)-2,4-dimethylaniline
CID 130325250
N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 158670691
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline
CID 173389994
N-(2,2-diphenylethenyl)-N-(4-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142733388
2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline
CID 20685596
N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline
CID 59408569
N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline
CID 23517958

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine?
The IUPAC name of N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine (CID 118104132) is N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine is C=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine?
The InChIKey is FCJAKWSMOPZUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-3-26-20-23-33(31-17-11-10-16-30(26)31)34(29-21-18-25(2)19-22-29)24-32(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h3-24H,1H2,2H3.
What are the key properties of N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine?
N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine has a molecular weight of 437.59 g/mol, XLogP of 9.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 118104132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).