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

C64H52N2 — CID 143727348

IUPACN-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
SMILESC1=Cc2c(cccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3cc(/C=C/c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)ccc3c2)CC1.CC
InChIInChI=1S/C62H46N2.C2H6/c1-3-13-47(14-4-1)49-31-38-56(39-32-49)63(61-23-11-19-51-17-7-9-21-59(51)61)55-36-28-45(29-37-55)25-26-46-27-30-54-44-58(42-35-53(54)43-46)64(62-24-12-20-52-18-8-10-22-60(52)62)57-40-33-50(34-41-57)48-15-5-2-6-16-48;1-2/h1-7,9-17,19-44H,8,18H2;1-2H3/b26-25+;
InChIKeyQBEPWNUUNHZDKT-BTKVJIOYSA-N
MW849.13 g/mol
LogP18.42
Rot. Bonds10

About 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

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 (PubChem CID 143727348) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
PubChem CID143727348
Molecular FormulaC64H52N2
Molecular Weight849.13 g/mol
Exact Mass848.41
IUPAC NameN-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
SMILESC1=Cc2c(cccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3cc(/C=C/c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)ccc3c2)CC1.CC
InChIInChI=1S/C62H46N2.C2H6/c1-3-13-47(14-4-1)49-31-38-56(39-32-49)63(61-23-11-19-51-17-7-9-21-59(51)61)55-36-28-45(29-37-55)25-26-46-27-30-54-44-58(42-35-53(54)43-46)64(62-24-12-20-52-18-8-10-22-60(52)62)57-40-33-50(34-41-57)48-15-5-2-6-16-48;1-2/h1-7,9-17,19-44H,8,18H2;1-2H3/b26-25+;
InChIKeyQBEPWNUUNHZDKT-BTKVJIOYSA-N
XLogP18.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 518.42
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

N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 58511479
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
N-[4-[4-[4-[5,6-dihydronaphthalen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 131995520
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-[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-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 20801917
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 140926321
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
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-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160623452

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2c(cccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3cc(/C=C/c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)ccc3c2)CC1.CC.
What is the InChIKey of 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?
The InChIKey is QBEPWNUUNHZDKT-BTKVJIOYSA-N. The full InChI is InChI=1S/C62H46N2.C2H6/c1-3-13-47(14-4-1)49-31-38-56(39-32-49)63(61-23-11-19-51-17-7-9-21-59(51)61)55-36-28-45(29-37-55)25-26-46-27-30-54-44-58(42-35-53(54)43-46)64(62-24-12-20-52-18-8-10-22-60(52)62)57-40-33-50(34-41-57)48-15-5-2-6-16-48;1-2/h1-7,9-17,19-44H,8,18H2;1-2H3/b26-25+;.
What are the key properties of 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?
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 has a molecular weight of 849.13 g/mol, XLogP of 18.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143727348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).