N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C61H46N2 — CID 145268750

IUPACN-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1CC(C2=CC=C=C=C2)=CC=C1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C61H46N2/c1-45-44-55(49-20-12-5-13-21-49)32-43-61(45)63(59-39-28-52(29-40-59)48-18-10-4-11-19-48)60-41-30-54(31-42-60)53-26-37-58(38-27-53)62(56-33-22-50(23-34-56)46-14-6-2-7-15-46)57-35-24-51(25-36-57)47-16-8-3-9-17-47/h2-4,6-12,14-43,45H,44H2,1H3
InChIKeyQTZBHSCYCWLJPA-UHFFFAOYSA-N
MW807.05 g/mol
LogP16.62
Rot. Bonds11

About N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 145268750) has the molecular formula C61H46N2 and a molecular weight of 807.05 g/mol. Its IUPAC name is N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID145268750
Molecular FormulaC61H46N2
Molecular Weight807.05 g/mol
Exact Mass806.37
IUPAC NameN-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1CC(C2=CC=C=C=C2)=CC=C1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C61H46N2/c1-45-44-55(49-20-12-5-13-21-49)32-43-61(45)63(59-39-28-52(29-40-59)48-18-10-4-11-19-48)60-41-30-54(31-42-60)53-26-37-58(38-27-53)62(56-33-22-50(23-34-56)46-14-6-2-7-15-46)57-35-24-51(25-36-57)47-16-8-3-9-17-47/h2-4,6-12,14-43,45H,44H2,1H3
InChIKeyQTZBHSCYCWLJPA-UHFFFAOYSA-N
XLogP16.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.05
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[4-(N-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 163486096
4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline
CID 121285722
N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 70847371
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
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,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 145268750) is N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1CC(C2=CC=C=C=C2)=CC=C1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is QTZBHSCYCWLJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N2/c1-45-44-55(49-20-12-5-13-21-49)32-43-61(45)63(59-39-28-52(29-40-59)48-18-10-4-11-19-48)60-41-30-54(31-42-60)53-26-37-58(38-27-53)62(56-33-22-50(23-34-56)46-14-6-2-7-15-46)57-35-24-51(25-36-57)47-16-8-3-9-17-47/h2-4,6-12,14-43,45H,44H2,1H3.
What are the key properties of N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 807.05 g/mol, XLogP of 16.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145268750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).