9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C102H90N2O2 — CID 155122620

About 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155122620) has the molecular formula C102H90N2O2 and a molecular weight of 1375.85 g/mol. Its IUPAC name is 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155122620
• Molecular Formula: C102H90N2O2
• Molecular Weight: 1375.85 g/mol
• Exact Mass: 1374.70
• IUPAC Name: 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(CCCCCCOc6ccc(C=C)cc6)(c6ccccc6)C6C=CC=CC76)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C102H90N2O2/c1-3-75-41-63-91(64-42-75)105-71-27-7-5-25-69-101(83-33-17-11-18-34-83)97-39-23-21-37-93(97)95-67-61-89(73-99(95)101)103(85-53-45-79(46-54-85)77-29-13-9-14-30-77)87-57-49-81(50-58-87)82-51-59-88(60-52-82)104(86-55-47-80(48-56-86)78-31-15-10-16-32-78)90-62-68-96-94-38-22-24-40-98(94)102(100(96)74-90,84-35-19-12-20-36-84)70-26-6-8-28-72-106-92-65-43-76(4-2)44-66-92/h3-4,9-24,29-68,73-74,93,97H,1-2,5-8,25-28,69-72H2
• InChIKey: SIUJNZSKXMAAEQ-UHFFFAOYSA-N
• XLogP: 27.41
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 29
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.85
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155122620) is 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(CCCCCCOc6ccc(C=C)cc6)(c6ccccc6)C6C=CC=CC76)cc5)cc4)cc32)cc1.

What is the InChIKey of 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is SIUJNZSKXMAAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H90N2O2/c1-3-75-41-63-91(64-42-75)105-71-27-7-5-25-69-101(83-33-17-11-18-34-83)97-39-23-21-37-93(97)95-67-61-89(73-99(95)101)103(85-53-45-79(46-54-85)77-29-13-9-14-30-77)87-57-49-81(50-58-87)82-51-59-88(60-52-82)104(86-55-47-80(48-56-86)78-31-15-10-16-32-78)90-62-68-96-94-38-22-24-40-98(94)102(100(96)74-90,84-35-19-12-20-36-84)70-26-6-8-28-72-106-92-65-43-76(4-2)44-66-92/h3-4,9-24,29-68,73-74,93,97H,1-2,5-8,25-28,69-72H2.

What are the key properties of 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1375.85 g/mol, XLogP of 27.41, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155122620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).