N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine

C33H27N — CID 19688920

IUPACN-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine
SMILESCc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc4c5c(cccc35)CC4)cc2)cc1
InChIInChI=1S/C33H27N/c1-24-10-12-25(13-11-24)14-15-26-16-21-30(22-17-26)34(29-7-3-2-4-8-29)32-23-20-28-19-18-27-6-5-9-31(32)33(27)28/h2-17,20-23H,18-19H2,1H3/b15-14+
InChIKeyLJJLJNIEXLOLIT-CCEZHUSRSA-N
MW437.59 g/mol
LogP8.89
Rot. Bonds5

About N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine

N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine (PubChem CID 19688920) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine
PubChem CID19688920
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC NameN-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine
SMILESCc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc4c5c(cccc35)CC4)cc2)cc1
InChIInChI=1S/C33H27N/c1-24-10-12-25(13-11-24)14-15-26-16-21-30(22-17-26)34(29-7-3-2-4-8-29)32-23-20-28-19-18-27-6-5-9-31(32)33(27)28/h2-17,20-23H,18-19H2,1H3/b15-14+
InChIKeyLJJLJNIEXLOLIT-CCEZHUSRSA-N
XLogP8.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 58.89
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

1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 20789612
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
CID 54213443
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
N-[9,9-dimethyl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(4-methylphenyl)-7H-benzo[a]phenalen-4-amine
CID 91214788
N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 54210687
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine
CID 67099589
N-(4-methylphenyl)-N-[4-(2-naphthalen-1-ylethenyl)phenyl]pyren-1-amine
CID 58817047
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine?
The IUPAC name of N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine (CID 19688920) is N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine.
What is the SMILES notation for N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine?
The canonical SMILES for N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine is Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc4c5c(cccc35)CC4)cc2)cc1.
What is the InChIKey of N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine?
The InChIKey is LJJLJNIEXLOLIT-CCEZHUSRSA-N. The full InChI is InChI=1S/C33H27N/c1-24-10-12-25(13-11-24)14-15-26-16-21-30(22-17-26)34(29-7-3-2-4-8-29)32-23-20-28-19-18-27-6-5-9-31(32)33(27)28/h2-17,20-23H,18-19H2,1H3/b15-14+.
What are the key properties of N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine?
N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine has a molecular weight of 437.59 g/mol, XLogP of 8.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine is sourced from PubChem (CID 19688920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).