N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine

C84H72N2 — CID 20731057

About N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine

N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine (PubChem CID 20731057) has the molecular formula C84H72N2 and a molecular weight of 1109.51 g/mol. Its IUPAC name is N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine.

Molecular Properties

• Compound Name: N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine
• PubChem CID: 20731057
• Molecular Formula: C84H72N2
• Molecular Weight: 1109.51 g/mol
• Exact Mass: 1108.57
• IUPAC Name: N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine
• SMILES: Cc1ccc(/C=C/c2ccc(N(c3ccc(C=C4CCCCC4)cc3)c3c4ccccc4c(-c4c5ccccc5c(N(c5ccc(C=C6CCCCC6)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C84H72N2/c1-59-29-33-61(34-30-59)37-39-63-41-49-69(50-42-63)85(71-53-45-67(46-54-71)57-65-17-5-3-6-18-65)83-77-25-13-9-21-73(77)81(74-22-10-14-26-78(74)83)82-75-23-11-15-27-79(75)84(80-28-16-12-24-76(80)82)86(72-55-47-68(48-56-72)58-66-19-7-4-8-20-66)70-51-43-64(44-52-70)40-38-62-35-31-60(2)32-36-62/h9-16,21-58H,3-8,17-20H2,1-2H3/b39-37+,40-38+
• InChIKey: OXZKXHORXAXUKS-HVMBLDELSA-N
• XLogP: 24.56
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1109.51
LogP ≤ 5	24.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine?

The IUPAC name of N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine (CID 20731057) is N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine.

What is the SMILES notation for N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine?

The canonical SMILES for N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine is Cc1ccc(/C=C/c2ccc(N(c3ccc(C=C4CCCCC4)cc3)c3c4ccccc4c(-c4c5ccccc5c(N(c5ccc(C=C6CCCCC6)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1.

What is the InChIKey of N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine?

The InChIKey is OXZKXHORXAXUKS-HVMBLDELSA-N. The full InChI is InChI=1S/C84H72N2/c1-59-29-33-61(34-30-59)37-39-63-41-49-69(50-42-63)85(71-53-45-67(46-54-71)57-65-17-5-3-6-18-65)83-77-25-13-9-21-73(77)81(74-22-10-14-26-78(74)83)82-75-23-11-15-27-79(75)84(80-28-16-12-24-76(80)82)86(72-55-47-68(48-56-72)58-66-19-7-4-8-20-66)70-51-43-64(44-52-70)40-38-62-35-31-60(2)32-36-62/h9-16,21-58H,3-8,17-20H2,1-2H3/b39-37+,40-38+.

What are the key properties of N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine?

N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine has a molecular weight of 1109.51 g/mol, XLogP of 24.56, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine is sourced from PubChem (CID 20731057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).