4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline

C62H54N2 — CID 170063875

IUPAC4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline
SMILESCC1C=CC(c2ccc(N(c3ccc(C4=CC(C)CC=C4)cc3)c3ccc(-c4ccc(N(C5=CCC(c6ccccc6)C=C5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)=CC1
InChIInChI=1S/C62H54N2/c1-45-16-18-49(19-17-45)52-24-36-59(37-25-52)64(62-42-30-55(31-43-62)56-15-9-10-46(2)44-56)61-40-28-54(29-41-61)53-26-38-60(39-27-53)63(57-32-20-50(21-33-57)47-11-5-3-6-12-47)58-34-22-51(23-35-58)48-13-7-4-8-14-48/h3-9,11-16,18-22,24-46,51H,10,17,23H2,1-2H3
InChIKeyPALIJJFEMUXAIX-UHFFFAOYSA-N
MW827.13 g/mol
LogP17.21
Rot. Bonds11

About 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline

4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline (PubChem CID 170063875) has the molecular formula C62H54N2 and a molecular weight of 827.13 g/mol. Its IUPAC name is 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline
PubChem CID170063875
Molecular FormulaC62H54N2
Molecular Weight827.13 g/mol
Exact Mass826.43
IUPAC Name4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline
SMILESCC1C=CC(c2ccc(N(c3ccc(C4=CC(C)CC=C4)cc3)c3ccc(-c4ccc(N(C5=CCC(c6ccccc6)C=C5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)=CC1
InChIInChI=1S/C62H54N2/c1-45-16-18-49(19-17-45)52-24-36-59(37-25-52)64(62-42-30-55(31-43-62)56-15-9-10-46(2)44-56)61-40-28-54(29-41-61)53-26-38-60(39-27-53)63(57-32-20-50(21-33-57)47-11-5-3-6-12-47)58-34-22-51(23-35-58)48-13-7-4-8-14-48/h3-9,11-16,18-22,24-46,51H,10,17,23H2,1-2H3
InChIKeyPALIJJFEMUXAIX-UHFFFAOYSA-N
XLogP17.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.13
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]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-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
N-phenyl-N-(4-phenylphenyl)-4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 134426748
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
9-(4-methylphenyl)-10-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N,2-N,6-N-tris(4-phenylphenyl)anthracene-2,6-diamine
CID 59766431
N-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]phenyl]triphenylen-2-amine
CID 134321142
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
CID 170652852
N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
CID 118554549
N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 143057958
4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
CID 143254565
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline?
The IUPAC name of 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline (CID 170063875) is 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline is CC1C=CC(c2ccc(N(c3ccc(C4=CC(C)CC=C4)cc3)c3ccc(-c4ccc(N(C5=CCC(c6ccccc6)C=C5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)=CC1.
What is the InChIKey of 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline?
The InChIKey is PALIJJFEMUXAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H54N2/c1-45-16-18-49(19-17-45)52-24-36-59(37-25-52)64(62-42-30-55(31-43-62)56-15-9-10-46(2)44-56)61-40-28-54(29-41-61)53-26-38-60(39-27-53)63(57-32-20-50(21-33-57)47-11-5-3-6-12-47)58-34-22-51(23-35-58)48-13-7-4-8-14-48/h3-9,11-16,18-22,24-46,51H,10,17,23H2,1-2H3.
What are the key properties of 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline?
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline has a molecular weight of 827.13 g/mol, XLogP of 17.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 170063875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).