N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline

C78H61N3 — CID 166723491

IUPACN-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(C2C=C(c3ccccc3)C(N(c3ccc(-c4ccc(C5=CC=C(N(c6ccccc6)c6ccccc6)CC5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)C6C=CC=CC6)cc5)cc4)cc3)=CC2)cc#1
InChIInChI=1S/C78H61N3/c1-7-19-58(20-8-1)68-47-56-78(77(57-68)67-21-9-2-10-22-67)81(75-52-43-65(44-53-75)61-35-31-59(32-36-61)63-39-48-73(49-40-63)79(69-23-11-3-12-24-69)70-25-13-4-14-26-70)76-54-45-66(46-55-76)62-37-33-60(34-38-62)64-41-50-74(51-42-64)80(71-27-15-5-16-28-71)72-29-17-6-18-30-72/h2-7,9-29,31-39,41-46,48,50-57,68,72H,30,40,47,49H2
InChIKeyXAZYZHKRQTZICO-UHFFFAOYSA-N
MW1040.37 g/mol
LogP20.50
Rot. Bonds15

About N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline

N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline (PubChem CID 166723491) has the molecular formula C78H61N3 and a molecular weight of 1040.37 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
PubChem CID166723491
Molecular FormulaC78H61N3
Molecular Weight1040.37 g/mol
Exact Mass1039.49
IUPAC NameN-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(C2C=C(c3ccccc3)C(N(c3ccc(-c4ccc(C5=CC=C(N(c6ccccc6)c6ccccc6)CC5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)C6C=CC=CC6)cc5)cc4)cc3)=CC2)cc#1
InChIInChI=1S/C78H61N3/c1-7-19-58(20-8-1)68-47-56-78(77(57-68)67-21-9-2-10-22-67)81(75-52-43-65(44-53-75)61-35-31-59(32-36-61)63-39-48-73(49-40-63)79(69-23-11-3-12-24-69)70-25-13-4-14-26-70)76-54-45-66(46-55-76)62-37-33-60(34-38-62)64-41-50-74(51-42-64)80(71-27-15-5-16-28-71)72-29-17-6-18-30-72/h2-7,9-29,31-39,41-46,48,50-57,68,72H,30,40,47,49H2
InChIKeyXAZYZHKRQTZICO-UHFFFAOYSA-N
XLogP20.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001040.37
LogP ≤ 520.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline with MolForge

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Related Compounds

4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 144687013
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
1-N-cyclohexa-2,4-dien-1-yl-4-N,4-N-diphenyl-1-N-[4-[4-(N-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 143746563
N-cyclohexa-2,4-dien-1-yl-N-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 166978725
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
CID 155307171
N-[4-[4-[4-[4-[cyclohexa-2,4-dien-1-yl-(4-phenylcyclohexa-1,5-dien-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-phenylaniline
CID 155274085
N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine
CID 90070851
1-N-cyclohexa-2,4-dien-1-yl-4-N-[4-(N-cyclohexa-1,5-dien-1-yl-3-methylanilino)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 140938297
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline
CID 155371748

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline (CID 166723491) is N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline is c1ccc(C2C=C(c3ccccc3)C(N(c3ccc(-c4ccc(C5=CC=C(N(c6ccccc6)c6ccccc6)CC5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)C6C=CC=CC6)cc5)cc4)cc3)=CC2)cc#1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline?
The InChIKey is XAZYZHKRQTZICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H61N3/c1-7-19-58(20-8-1)68-47-56-78(77(57-68)67-21-9-2-10-22-67)81(75-52-43-65(44-53-75)61-35-31-59(32-36-61)63-39-48-73(49-40-63)79(69-23-11-3-12-24-69)70-25-13-4-14-26-70)76-54-45-66(46-55-76)62-37-33-60(34-38-62)64-41-50-74(51-42-64)80(71-27-15-5-16-28-71)72-29-17-6-18-30-72/h2-7,9-29,31-39,41-46,48,50-57,68,72H,30,40,47,49H2.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline?
N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline has a molecular weight of 1040.37 g/mol, XLogP of 20.50, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 166723491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).