N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine

C121H100N2O2 — CID 146516915

About N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine

N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 146516915) has the molecular formula C121H100N2O2 and a molecular weight of 1614.14 g/mol. Its IUPAC name is N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 146516915
• Molecular Formula: C121H100N2O2
• Molecular Weight: 1614.14 g/mol
• Exact Mass: 1612.78
• IUPAC Name: N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine
• SMILES: C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(C4=CC=C(c5ccccc5)CC4)c4ccc5c(c4)C4(c6ccccc6-c6ccc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc9c(c8)C(CCCCCCOc8ccc(C=C)cc8)(c8ccccc8)c8ccccc8-9)cc7)cc64)c4ccccc4-5)cc32)cc1
• InChI: InChI=1S/C121H100N2O2/c1-3-85-49-69-101(70-50-85)124-79-31-7-5-29-77-119(93-37-17-11-18-38-93)111-45-25-21-41-103(111)107-74-66-98(82-115(107)119)122(95-60-53-89(54-61-95)87-33-13-9-14-34-87)96-64-57-91(58-65-96)92-59-73-109-105-43-23-27-47-113(105)121(117(109)81-92)114-48-28-24-44-106(114)110-76-68-100(84-118(110)121)123(97-62-55-90(56-63-97)88-35-15-10-16-36-88)99-67-75-108-104-42-22-26-46-112(104)120(116(108)83-99,94-39-19-12-20-40-94)78-30-6-8-32-80-125-102-71-51-86(4-2)52-72-102/h3-4,9-28,33-55,57-62,64-76,81-84H,1-2,5-8,29-32,56,63,77-80H2
• InChIKey: NAURJJJLMACCPH-UHFFFAOYSA-N
• XLogP: 31.71
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1614.14
LogP ≤ 5	31.71
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 N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 146516915) is N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine is C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(C4=CC=C(c5ccccc5)CC4)c4ccc5c(c4)C4(c6ccccc6-c6ccc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc9c(c8)C(CCCCCCOc8ccc(C=C)cc8)(c8ccccc8)c8ccccc8-9)cc7)cc64)c4ccccc4-5)cc32)cc1.

What is the InChIKey of N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is NAURJJJLMACCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H100N2O2/c1-3-85-49-69-101(70-50-85)124-79-31-7-5-29-77-119(93-37-17-11-18-38-93)111-45-25-21-41-103(111)107-74-66-98(82-115(107)119)122(95-60-53-89(54-61-95)87-33-13-9-14-34-87)96-64-57-91(58-65-96)92-59-73-109-105-43-23-27-47-113(105)121(117(109)81-92)114-48-28-24-44-106(114)110-76-68-100(84-118(110)121)123(97-62-55-90(56-63-97)88-35-15-10-16-36-88)99-67-75-108-104-42-22-26-46-112(104)120(116(108)83-99,94-39-19-12-20-40-94)78-30-6-8-32-80-125-102-71-51-86(4-2)52-72-102/h3-4,9-28,33-55,57-62,64-76,81-84H,1-2,5-8,29-32,56,63,77-80H2.

What are the key properties of N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine?

N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1614.14 g/mol, XLogP of 31.71, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-2-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 146516915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).