N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine

C80H72N2 — CID 59246498

About N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine

N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 59246498) has the molecular formula C80H72N2 and a molecular weight of 1061.47 g/mol. Its IUPAC name is N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 59246498
• Molecular Formula: C80H72N2
• Molecular Weight: 1061.47 g/mol
• Exact Mass: 1060.57
• IUPAC Name: N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine
• SMILES: Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(ccc6cc(/C=C/c7ccc8c(c7)C(C)(C)c7cc(N(c9cc(C)cc(C)c9)c9cc(C)cc(C)c9)ccc7-8)ccc65)c4)ccc2-3)c1
• InChI: InChI=1S/C80H72N2/c1-49-31-50(2)36-65(35-49)81(66-37-51(3)32-52(4)38-66)63-23-29-73-71-27-19-59(45-75(71)79(9,10)77(73)47-63)15-13-57-17-25-69-61(43-57)21-22-62-44-58(18-26-70(62)69)14-16-60-20-28-72-74-30-24-64(48-78(74)80(11,12)76(72)46-60)82(67-39-53(5)33-54(6)40-67)68-41-55(7)34-56(8)42-68/h13-48H,1-12H3/b15-13+,16-14+
• InChIKey: JATMCZRHGKUXFO-WXUKJITCSA-N
• XLogP: 22.35
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.47
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine (CID 59246498) is N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(ccc6cc(/C=C/c7ccc8c(c7)C(C)(C)c7cc(N(c9cc(C)cc(C)c9)c9cc(C)cc(C)c9)ccc7-8)ccc65)c4)ccc2-3)c1.

What is the InChIKey of N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine?

The InChIKey is JATMCZRHGKUXFO-WXUKJITCSA-N. The full InChI is InChI=1S/C80H72N2/c1-49-31-50(2)36-65(35-49)81(66-37-51(3)32-52(4)38-66)63-23-29-73-71-27-19-59(45-75(71)79(9,10)77(73)47-63)15-13-57-17-25-69-61(43-57)21-22-62-44-58(18-26-70(62)69)14-16-60-20-28-72-74-30-24-64(48-78(74)80(11,12)76(72)46-60)82(67-39-53(5)33-54(6)40-67)68-41-55(7)34-56(8)42-68/h13-48H,1-12H3/b15-13+,16-14+.

What are the key properties of N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine?

N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 1061.47 g/mol, XLogP of 22.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 59246498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).