N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline

C86H60N2 — CID 143567046

About N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline

N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline (PubChem CID 143567046) has the molecular formula C86H60N2 and a molecular weight of 1121.44 g/mol. Its IUPAC name is N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

• Compound Name: N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline
• PubChem CID: 143567046
• Molecular Formula: C86H60N2
• Molecular Weight: 1121.44 g/mol
• Exact Mass: 1120.48
• IUPAC Name: N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline
• SMILES: C=C/C=C(\C=C)c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc5c(-c6c7ccccc7c(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)c7ccccc67)cccc45)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C86H60N2/c1-3-24-59(4-2)61-43-51-67(52-44-61)87(65-27-10-6-11-28-65)69-55-47-63(48-56-69)83-75-31-14-18-35-79(75)85(80-36-19-15-32-76(80)83)73-41-22-40-72-71(73)39-23-42-74(72)86-81-37-20-16-33-77(81)84(78-34-17-21-38-82(78)86)64-49-57-70(58-50-64)88(66-29-12-7-13-30-66)68-53-45-62(46-54-68)60-25-8-5-9-26-60/h3-58H,1-2H2/b59-24+
• InChIKey: QODZCJBXSLZKMY-AAACPCDESA-N
• XLogP: 24.48
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1121.44
LogP ≤ 5	24.48
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': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline?

The IUPAC name of N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline (CID 143567046) is N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline.

What is the SMILES notation for N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline?

The canonical SMILES for N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline is C=C/C=C(\C=C)c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc5c(-c6c7ccccc7c(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)c7ccccc67)cccc45)c4ccccc34)cc2)cc1.

What is the InChIKey of N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline?

The InChIKey is QODZCJBXSLZKMY-AAACPCDESA-N. The full InChI is InChI=1S/C86H60N2/c1-3-24-59(4-2)61-43-51-67(52-44-61)87(65-27-10-6-11-28-65)69-55-47-63(48-56-69)83-75-31-14-18-35-79(75)85(80-36-19-15-32-76(80)83)73-41-22-40-72-71(73)39-23-42-74(72)86-81-37-20-16-33-77(81)84(78-34-17-21-38-82(78)86)64-49-57-70(58-50-64)88(66-29-12-7-13-30-66)68-53-45-62(46-54-68)60-25-8-5-9-26-60/h3-58H,1-2H2/b59-24+.

What are the key properties of N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline?

N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 1121.44 g/mol, XLogP of 24.48, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 143567046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).