1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine

C54H46N2 — CID 66614363

IUPAC1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine
SMILESCc1ccc(C=C(c2ccc(C)cc2)N(c2ccccc2)c2ccc(N(C(=Cc3ccc(C)cc3)c3ccc(C)cc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C54H46N2/c1-39-19-27-43(28-20-39)37-53(45-31-23-41(3)24-32-45)55(47-13-7-5-8-14-47)51-35-36-52(50-18-12-11-17-49(50)51)56(48-15-9-6-10-16-48)54(46-33-25-42(4)26-34-46)38-44-29-21-40(2)22-30-44/h5-38H,1-4H3
InChIKeyNEESCWDSPVEZCY-UHFFFAOYSA-N
MW722.98 g/mol
LogP14.75
Rot. Bonds10

About 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine

1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine (PubChem CID 66614363) has the molecular formula C54H46N2 and a molecular weight of 722.98 g/mol. Its IUPAC name is 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine
PubChem CID66614363
Molecular FormulaC54H46N2
Molecular Weight722.98 g/mol
Exact Mass722.37
IUPAC Name1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine
SMILESCc1ccc(C=C(c2ccc(C)cc2)N(c2ccccc2)c2ccc(N(C(=Cc3ccc(C)cc3)c3ccc(C)cc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C54H46N2/c1-39-19-27-43(28-20-39)37-53(45-31-23-41(3)24-32-45)55(47-13-7-5-8-14-47)51-35-36-52(50-18-12-11-17-49(50)51)56(48-15-9-6-10-16-48)54(46-33-25-42(4)26-34-46)38-44-29-21-40(2)22-30-44/h5-38H,1-4H3
InChIKeyNEESCWDSPVEZCY-UHFFFAOYSA-N
XLogP14.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.98
LogP ≤ 514.75
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-[(Z)-1,2-diphenylethenyl]-N-phenylaniline
CID 67853928
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
4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline
CID 175318072
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
(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine
CID 132850322
4-methyl-N-(4-methylphenyl)-N-[4-[4-[1-[4-(N-phenylanilino)phenyl]prop-1-en-2-yl]phenyl]phenyl]aniline
CID 76600728
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
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
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-(1,2-diphenylethenyl)-N-methylaniline
CID 76766210
(E)-2-(4-methylphenyl)-3-phenylprop-2-en-1-ol
CID 71219212
N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine
CID 142720916

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine (CID 66614363) is 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine is Cc1ccc(C=C(c2ccc(C)cc2)N(c2ccccc2)c2ccc(N(C(=Cc3ccc(C)cc3)c3ccc(C)cc3)c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine?
The InChIKey is NEESCWDSPVEZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2/c1-39-19-27-43(28-20-39)37-53(45-31-23-41(3)24-32-45)55(47-13-7-5-8-14-47)51-35-36-52(50-18-12-11-17-49(50)51)56(48-15-9-6-10-16-48)54(46-33-25-42(4)26-34-46)38-44-29-21-40(2)22-30-44/h5-38H,1-4H3.
What are the key properties of 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine?
1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine has a molecular weight of 722.98 g/mol, XLogP of 14.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine is sourced from PubChem (CID 66614363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).