4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

C55H46N4 — CID 155105871

IUPAC4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESCC1CC=CC=C1N(c1ccccc1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C55H46N4/c1-43-19-17-18-30-55(43)59(48-28-15-6-16-29-48)54-41-39-53(40-42-54)58(51-35-31-49(32-36-51)56(44-20-7-2-8-21-44)45-22-9-3-10-23-45)52-37-33-50(34-38-52)57(46-24-11-4-12-25-46)47-26-13-5-14-27-47/h2-18,20-43H,19H2,1H3
InChIKeyJLGZEMNSZRYDIE-UHFFFAOYSA-N
MW763.00 g/mol
LogP15.71
Rot. Bonds12

About 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (PubChem CID 155105871) has the molecular formula C55H46N4 and a molecular weight of 763.00 g/mol. Its IUPAC name is 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
PubChem CID155105871
Molecular FormulaC55H46N4
Molecular Weight763.00 g/mol
Exact Mass762.37
IUPAC Name4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESCC1CC=CC=C1N(c1ccccc1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C55H46N4/c1-43-19-17-18-30-55(43)59(48-28-15-6-16-29-48)54-41-39-53(40-42-54)58(51-35-31-49(32-36-51)56(44-20-7-2-8-21-44)45-22-9-3-10-23-45)52-37-33-50(34-38-52)57(46-24-11-4-12-25-46)47-26-13-5-14-27-47/h2-18,20-43H,19H2,1H3
InChIKeyJLGZEMNSZRYDIE-UHFFFAOYSA-N
XLogP15.71
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.00
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine
CID 155484125
4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 130242347
1-N,3-N-di(dibenzothiophen-3-yl)-5-(9,9-dimethylfluoren-2-yl)-3-N-(6-methylcyclohexa-1,3-dien-1-yl)-1-N-phenylbenzene-1,3-diamine
CID 131994187
4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine
CID 166905607
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
4-(2-fluoro-1,4,6,8,10,12-hexamethyl-3-aza-1-azonia-2-boratricyclo[7.3.0.03,7]dodeca-4,6,10-trien-8-yl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylaniline
CID 163716154
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 139514263
4-[4-(N-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 163486096
1-N-cyclohepta-1,3,5-trien-1-yl-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 142961371
10-N-(6-methylcyclohexa-1,3-dien-1-yl)-10-N,22-N,22-N-tris(2-methylphenyl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene-10,22-diamine
CID 170075410
N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine
CID 139297492
N,N-diphenylaniline;silane
CID 131739129

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (CID 155105871) is 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is CC1CC=CC=C1N(c1ccccc1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The InChIKey is JLGZEMNSZRYDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N4/c1-43-19-17-18-30-55(43)59(48-28-15-6-16-29-48)54-41-39-53(40-42-54)58(51-35-31-49(32-36-51)56(44-20-7-2-8-21-44)45-22-9-3-10-23-45)52-37-33-50(34-38-52)57(46-24-11-4-12-25-46)47-26-13-5-14-27-47/h2-18,20-43H,19H2,1H3.
What are the key properties of 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine has a molecular weight of 763.00 g/mol, XLogP of 15.71, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 155105871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).