N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine

C42H34N2 — CID 89061027

IUPACN-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
SMILESC1=Cc2c(cccc2N(c2ccccc2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C42H34N2/c1-4-15-36(16-5-1)43(37-17-6-2-7-18-37)39-29-25-33(26-30-39)23-24-34-27-31-40(32-28-34)44(38-19-8-3-9-20-38)42-22-12-14-35-13-10-11-21-41(35)42/h1-9,11-12,14-32H,10,13H2/b24-23+
InChIKeyBSTYYPDERZGCOL-WCWDXBQESA-N
MW566.75 g/mol
LogP11.76
Rot. Bonds8

About N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine

N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine (PubChem CID 89061027) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
PubChem CID89061027
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC NameN-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
SMILESC1=Cc2c(cccc2N(c2ccccc2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C42H34N2/c1-4-15-36(16-5-1)43(37-17-6-2-7-18-37)39-29-25-33(26-30-39)23-24-34-27-31-40(32-28-34)44(38-19-8-3-9-20-38)42-22-12-14-35-13-10-11-21-41(35)42/h1-9,11-12,14-32H,10,13H2/b24-23+
InChIKeyBSTYYPDERZGCOL-WCWDXBQESA-N
XLogP11.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 143685003
N-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
CID 143727348
N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 155148864
N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine
CID 170040436
N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine
CID 145093930
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 163927412
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine?
The IUPAC name of N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine (CID 89061027) is N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine is C1=Cc2c(cccc2N(c2ccccc2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)CC1.
What is the InChIKey of N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine?
The InChIKey is BSTYYPDERZGCOL-WCWDXBQESA-N. The full InChI is InChI=1S/C42H34N2/c1-4-15-36(16-5-1)43(37-17-6-2-7-18-37)39-29-25-33(26-30-39)23-24-34-27-31-40(32-28-34)44(38-19-8-3-9-20-38)42-22-12-14-35-13-10-11-21-41(35)42/h1-9,11-12,14-32H,10,13H2/b24-23+.
What are the key properties of N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine?
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine has a molecular weight of 566.75 g/mol, XLogP of 11.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine is sourced from PubChem (CID 89061027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).