N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline

C79H68N2 — CID 89146480

IUPACN-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
SMILESC=C/C=C(/C=C/c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C)cc2C)cc1)C(=C/C)\C=C\c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C79H68N2/c1-7-21-67(43-33-63-36-46-73(47-37-63)81(79-53-31-59(4)55-61(79)6)75-50-40-65(41-51-75)57-77(70-26-17-11-18-27-70)71-28-19-12-20-29-71)66(8-2)42-32-62-34-44-72(45-35-62)80(78-52-30-58(3)54-60(78)5)74-48-38-64(39-49-74)56-76(68-22-13-9-14-23-68)69-24-15-10-16-25-69/h7-57H,1H2,2-6H3/b42-32+,43-33+,66-8-,67-21-
InChIKeySSRJFZMIEULQPT-WYCMHQTPSA-N
MW1045.43 g/mol
LogP21.82
Rot. Bonds18

About N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline

N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline (PubChem CID 89146480) has the molecular formula C79H68N2 and a molecular weight of 1045.43 g/mol. Its IUPAC name is N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
PubChem CID89146480
Molecular FormulaC79H68N2
Molecular Weight1045.43 g/mol
Exact Mass1044.54
IUPAC NameN-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
SMILESC=C/C=C(/C=C/c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C)cc2C)cc1)C(=C/C)\C=C\c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C79H68N2/c1-7-21-67(43-33-63-36-46-73(47-37-63)81(79-53-31-59(4)55-61(79)6)75-50-40-65(41-51-75)57-77(70-26-17-11-18-27-70)71-28-19-12-20-29-71)66(8-2)42-32-62-34-44-72(45-35-62)80(78-52-30-58(3)54-60(78)5)74-48-38-64(39-49-74)56-76(68-22-13-9-14-23-68)69-24-15-10-16-25-69/h7-57H,1H2,2-6H3/b42-32+,43-33+,66-8-,67-21-
InChIKeySSRJFZMIEULQPT-WYCMHQTPSA-N
XLogP21.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.43
LogP ≤ 521.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline with MolForge

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Related Compounds

N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine
CID 123629815
(Z)-2-cyano-3-[4-[N-(2,4-dimethylphenyl)-4-[(Z)-2-(4-methylphenyl)-2-phenylethenyl]anilino]phenyl]prop-2-enoic acid
CID 173467144
(E)-3-[4-[N-(2,4-dimethylphenyl)-4-[2-(4-methylphenyl)-2-phenylethenyl]anilino]phenyl]-2-isocyanoprop-2-enoic acid
CID 59762718
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
CID 59920436
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
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
3-[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 123770908
9-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-6,12-dimethyl-3-N,9-N-bis(4-methylphenyl)-3-N-[4-[(Z)-2-(4-methylphenyl)-2-phenylethenyl]phenyl]perylene-3,9-diamine
CID 20816635

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline?
The IUPAC name of N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline (CID 89146480) is N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline?
The canonical SMILES for N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline is C=C/C=C(/C=C/c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C)cc2C)cc1)C(=C/C)\C=C\c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline?
The InChIKey is SSRJFZMIEULQPT-WYCMHQTPSA-N. The full InChI is InChI=1S/C79H68N2/c1-7-21-67(43-33-63-36-46-73(47-37-63)81(79-53-31-59(4)55-61(79)6)75-50-40-65(41-51-75)57-77(70-26-17-11-18-27-70)71-28-19-12-20-29-71)66(8-2)42-32-62-34-44-72(45-35-62)80(78-52-30-58(3)54-60(78)5)74-48-38-64(39-49-74)56-76(68-22-13-9-14-23-68)69-24-15-10-16-25-69/h7-57H,1H2,2-6H3/b42-32+,43-33+,66-8-,67-21-.
What are the key properties of N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline?
N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline has a molecular weight of 1045.43 g/mol, XLogP of 21.82, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline is sourced from PubChem (CID 89146480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).