4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline

C60H49N3 — CID 166723523

IUPAC4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline
SMILESC=C1/C=C(C2=CC=C(N(C3=CCCC=C3)c3ccccc3)CC2)\C=C/N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C60H49N3/c1-45-43-51(49-31-38-58(39-32-49)63(55-23-13-5-14-24-55)56-25-15-6-16-26-56)41-42-61(52-34-27-47(28-35-52)46-17-7-2-8-18-46)60-40-33-50(44-59(45)60)48-29-36-57(37-30-48)62(53-19-9-3-10-20-53)54-21-11-4-12-22-54/h2-5,7-15,17-31,33-38,40-44H,1,6,16,32,39H2/b42-41-,51-43+
InChIKeyVXKNYNAZVYLWED-ACIWOESDSA-N
MW812.07 g/mol
LogP16.44
Rot. Bonds10

About 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline

4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline (PubChem CID 166723523) has the molecular formula C60H49N3 and a molecular weight of 812.07 g/mol. Its IUPAC name is 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline
PubChem CID166723523
Molecular FormulaC60H49N3
Molecular Weight812.07 g/mol
Exact Mass811.39
IUPAC Name4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline
SMILESC=C1/C=C(C2=CC=C(N(C3=CCCC=C3)c3ccccc3)CC2)\C=C/N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C60H49N3/c1-45-43-51(49-31-38-58(39-32-49)63(55-23-13-5-14-24-55)56-25-15-6-16-26-56)41-42-61(52-34-27-47(28-35-52)46-17-7-2-8-18-46)60-40-33-50(44-59(45)60)48-29-36-57(37-30-48)62(53-19-9-3-10-20-53)54-21-11-4-12-22-54/h2-5,7-15,17-31,33-38,40-44H,1,6,16,32,39H2/b42-41-,51-43+
InChIKeyVXKNYNAZVYLWED-ACIWOESDSA-N
XLogP16.44
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.07
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 90939241
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
N-cyclohexa-1,5-dien-1-yl-N-(cyclohexen-1-yl)-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 131995472
N-cyclohexa-1,5-dien-1-yl-4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]-4,4a-dihydrocarbazol-3-yl]-N-phenylaniline
CID 174274998
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
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
10-N-cyclohexa-1,5-dien-1-yl-9-N,9-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 89189854
N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline
CID 130231435
5-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-14,14-dimethyl-8-methylidene-N,N-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine
CID 89065451
1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163885983

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline (CID 166723523) is 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline is C=C1/C=C(C2=CC=C(N(C3=CCCC=C3)c3ccccc3)CC2)\C=C/N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline?
The InChIKey is VXKNYNAZVYLWED-ACIWOESDSA-N. The full InChI is InChI=1S/C60H49N3/c1-45-43-51(49-31-38-58(39-32-49)63(55-23-13-5-14-24-55)56-25-15-6-16-26-56)41-42-61(52-34-27-47(28-35-52)46-17-7-2-8-18-46)60-40-33-50(44-59(45)60)48-29-36-57(37-30-48)62(53-19-9-3-10-20-53)54-21-11-4-12-22-54/h2-5,7-15,17-31,33-38,40-44H,1,6,16,32,39H2/b42-41-,51-43+.
What are the key properties of 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline?
4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline has a molecular weight of 812.07 g/mol, XLogP of 16.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline is sourced from PubChem (CID 166723523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).