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

C60H52N2 — CID 155274085

IUPACN-[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
SMILESC1=CCC(N(C2=CCC(c3ccccc3)C=C2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(C7CC=CCC7)cc6)cc5)cc4)cc3)cc2)C=C1
InChIInChI=1S/C60H52N2/c1-5-13-45(14-6-1)51-29-37-57(38-30-51)61(55-17-9-3-10-18-55)59-41-33-53(34-42-59)49-25-21-47(22-26-49)48-23-27-50(28-24-48)54-35-43-60(44-36-54)62(56-19-11-4-12-20-56)58-39-31-52(32-40-58)46-15-7-2-8-16-46/h1-7,9-14,17,19-29,31-44,46,51,55H,8,15-16,18,30H2
InChIKeyCEFPHZMQCDQURG-UHFFFAOYSA-N
MW801.09 g/mol
LogP16.30
Rot. Bonds11

About 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

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 (PubChem CID 155274085) has the molecular formula C60H52N2 and a molecular weight of 801.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155274085
Molecular FormulaC60H52N2
Molecular Weight801.09 g/mol
Exact Mass800.41
IUPAC NameN-[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
SMILESC1=CCC(N(C2=CCC(c3ccccc3)C=C2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(C7CC=CCC7)cc6)cc5)cc4)cc3)cc2)C=C1
InChIInChI=1S/C60H52N2/c1-5-13-45(14-6-1)51-29-37-57(38-30-51)61(55-17-9-3-10-18-55)59-41-33-53(34-42-59)49-25-21-47(22-26-49)48-23-27-50(28-24-48)54-35-43-60(44-36-54)62(56-19-11-4-12-20-56)58-39-31-52(32-40-58)46-15-7-2-8-16-46/h1-7,9-14,17,19-29,31-44,46,51,55H,8,15-16,18,30H2
InChIKeyCEFPHZMQCDQURG-UHFFFAOYSA-N
XLogP16.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.09
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
CID 155307171
1-N-cyclohexa-2,4-dien-1-yl-4-N,4-N-diphenyl-1-N-[4-[4-(N-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 143746563
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
CID 89189838
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 144687013
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-(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
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
4-N-[4-(4-cyclopropylphenyl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 54264729
4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 144583029
N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine
CID 146536466
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[10-[4-(N-phenylanilino)phenyl]-3,4-dihydroanthracen-9-yl]aniline
CID 71012747

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC(N(C2=CCC(c3ccccc3)C=C2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(C7CC=CCC7)cc6)cc5)cc4)cc3)cc2)C=C1.
What is the InChIKey of 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?
The InChIKey is CEFPHZMQCDQURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2/c1-5-13-45(14-6-1)51-29-37-57(38-30-51)61(55-17-9-3-10-18-55)59-41-33-53(34-42-59)49-25-21-47(22-26-49)48-23-27-50(28-24-48)54-35-43-60(44-36-54)62(56-19-11-4-12-20-56)58-39-31-52(32-40-58)46-15-7-2-8-16-46/h1-7,9-14,17,19-29,31-44,46,51,55H,8,15-16,18,30H2.
What are the key properties of 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?
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 has a molecular weight of 801.09 g/mol, XLogP of 16.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155274085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).