4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

C80H70N6 — CID 143493308

IUPAC4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESC/C=C\C(=C/CC)N(c1ccccc1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccc(N(C4=CCCC=C4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C)cc1
InChIInChI=1S/C80H70N6/c1-4-27-63(28-5-2)81(64-29-13-6-14-30-64)71-51-55-77(56-52-71)86(78-57-53-74(54-58-78)84(69-39-23-11-24-40-69)70-41-25-12-26-42-70)80-60-59-79(61-62(80)3)85(75-47-43-72(44-48-75)82(65-31-15-7-16-32-65)66-33-17-8-18-34-66)76-49-45-73(46-50-76)83(67-35-19-9-20-36-67)68-37-21-10-22-38-68/h4,6-9,11-21,23-61H,5,10,22H2,1-3H3/b27-4-,63-28+
InChIKeyFFFQFIMKRAWAPT-WWHYNIOXSA-N
MW1115.48 g/mol
LogP23.25
Rot. Bonds20

About 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (PubChem CID 143493308) has the molecular formula C80H70N6 and a molecular weight of 1115.48 g/mol. Its IUPAC name is 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
PubChem CID143493308
Molecular FormulaC80H70N6
Molecular Weight1115.48 g/mol
Exact Mass1114.57
IUPAC Name4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESC/C=C\C(=C/CC)N(c1ccccc1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccc(N(C4=CCCC=C4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C)cc1
InChIInChI=1S/C80H70N6/c1-4-27-63(28-5-2)81(64-29-13-6-14-30-64)71-51-55-77(56-52-71)86(78-57-53-74(54-58-78)84(69-39-23-11-24-40-69)70-41-25-12-26-42-70)80-60-59-79(61-62(80)3)85(75-47-43-72(44-48-75)82(65-31-15-7-16-32-65)66-33-17-8-18-34-66)76-49-45-73(46-50-76)83(67-35-19-9-20-36-67)68-37-21-10-22-38-68/h4,6-9,11-21,23-61H,5,10,22H2,1-3H3/b27-4-,63-28+
InChIKeyFFFQFIMKRAWAPT-WWHYNIOXSA-N
XLogP23.25
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.48
LogP ≤ 523.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (CID 143493308) is 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is C/C=C\C(=C/CC)N(c1ccccc1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccc(N(C4=CCCC=C4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C)cc1.
What is the InChIKey of 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The InChIKey is FFFQFIMKRAWAPT-WWHYNIOXSA-N. The full InChI is InChI=1S/C80H70N6/c1-4-27-63(28-5-2)81(64-29-13-6-14-30-64)71-51-55-77(56-52-71)86(78-57-53-74(54-58-78)84(69-39-23-11-24-40-69)70-41-25-12-26-42-70)80-60-59-79(61-62(80)3)85(75-47-43-72(44-48-75)82(65-31-15-7-16-32-65)66-33-17-8-18-34-66)76-49-45-73(46-50-76)83(67-35-19-9-20-36-67)68-37-21-10-22-38-68/h4,6-9,11-21,23-61H,5,10,22H2,1-3H3/b27-4-,63-28+.
What are the key properties of 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine has a molecular weight of 1115.48 g/mol, XLogP of 23.25, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 143493308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).