N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline

C74H62N2 — CID 155373428

IUPACN-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline
SMILESCC1C=C(c2ccccc2)C=CC1N(C1=CC(c2ccccc2)=CC(c2ccccc2)C1)c1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)C3C=CC(c4ccccc4)=CC3C)cc2)cc1
InChIInChI=1S/C74H62N2/c1-53-45-63(55-21-9-3-10-22-55)37-43-73(53)75(71-49-65(57-25-13-5-14-26-57)47-66(50-71)58-27-15-6-16-28-58)69-39-33-61(34-40-69)62-35-41-70(42-36-62)76(74-44-38-64(46-54(74)2)56-23-11-4-12-24-56)72-51-67(59-29-17-7-18-30-59)48-68(52-72)60-31-19-8-20-32-60/h3-51,53-54,68,73-74H,52H2,1-2H3
InChIKeyIHZOWKOWUVCEJW-UHFFFAOYSA-N
MW979.32 g/mol
LogP19.10
Rot. Bonds13

About N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline

N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline (PubChem CID 155373428) has the molecular formula C74H62N2 and a molecular weight of 979.32 g/mol. Its IUPAC name is N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline.

Molecular Properties

Compound NameN-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline
PubChem CID155373428
Molecular FormulaC74H62N2
Molecular Weight979.32 g/mol
Exact Mass978.49
IUPAC NameN-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline
SMILESCC1C=C(c2ccccc2)C=CC1N(C1=CC(c2ccccc2)=CC(c2ccccc2)C1)c1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)C3C=CC(c4ccccc4)=CC3C)cc2)cc1
InChIInChI=1S/C74H62N2/c1-53-45-63(55-21-9-3-10-22-55)37-43-73(53)75(71-49-65(57-25-13-5-14-26-57)47-66(50-71)58-27-15-6-16-28-58)69-39-33-61(34-40-69)62-35-41-70(42-36-62)76(74-44-38-64(46-54(74)2)56-23-11-4-12-24-56)72-51-67(59-29-17-7-18-30-59)48-68(52-72)60-31-19-8-20-32-60/h3-51,53-54,68,73-74H,52H2,1-2H3
InChIKeyIHZOWKOWUVCEJW-UHFFFAOYSA-N
XLogP19.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.32
LogP ≤ 519.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline?
The IUPAC name of N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline (CID 155373428) is N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline.
What is the SMILES notation for N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline?
The canonical SMILES for N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline is CC1C=C(c2ccccc2)C=CC1N(C1=CC(c2ccccc2)=CC(c2ccccc2)C1)c1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)C3C=CC(c4ccccc4)=CC3C)cc2)cc1.
What is the InChIKey of N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline?
The InChIKey is IHZOWKOWUVCEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62N2/c1-53-45-63(55-21-9-3-10-22-55)37-43-73(53)75(71-49-65(57-25-13-5-14-26-57)47-66(50-71)58-27-15-6-16-28-58)69-39-33-61(34-40-69)62-35-41-70(42-36-62)76(74-44-38-64(46-54(74)2)56-23-11-4-12-24-56)72-51-67(59-29-17-7-18-30-59)48-68(52-72)60-31-19-8-20-32-60/h3-51,53-54,68,73-74H,52H2,1-2H3.
What are the key properties of N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline?
N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline has a molecular weight of 979.32 g/mol, XLogP of 19.10, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3,5-diphenylcyclohexa-1,3-dien-1-yl)-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-diphenylaniline is sourced from PubChem (CID 155373428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).