N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C140H84N2 — CID 138729536

About N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729536) has the molecular formula C140H84N2 and a molecular weight of 1794.23 g/mol. Its IUPAC name is N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138729536
• Molecular Formula: C140H84N2
• Molecular Weight: 1794.23 g/mol
• Exact Mass: 1792.66
• IUPAC Name: N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c5cc(-c6ccc7c8ccc(-c9cc%10c(cc9N(c9ccccc9)c9ccc%11c%12ccccc%12c%12ccccc%12c%11c9)C9(c%11ccccc%11-c%11ccccc%119)c9ccccc9-%10)cc8c8ccccc8c7c6)ccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5c6ccccc6c6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C140H84N2/c1-3-31-85(32-4-1)86-59-65-92(66-60-86)142(138-84-136-128(118-52-24-30-58-134(118)140(136)131-55-27-21-49-115(131)116-50-22-28-56-132(116)140)82-120(138)89-63-71-108-99-39-9-7-35-95(99)97-37-11-14-42-102(97)123(108)77-89)94-68-74-112-122-76-88(61-69-107(122)101-41-13-16-44-104(101)126(112)80-94)87-62-70-109-110-72-64-90(78-124(110)106-46-18-17-45-105(106)121(109)75-87)119-81-127-117-51-23-29-57-133(117)139(129-53-25-19-47-113(129)114-48-20-26-54-130(114)139)135(127)83-137(119)141(91-33-5-2-6-34-91)93-67-73-111-100-40-10-8-36-96(100)98-38-12-15-43-103(98)125(111)79-93/h1-84H
• InChIKey: JOSMTDKWTNENIH-UHFFFAOYSA-N
• XLogP: 37.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1794.23
LogP ≤ 5	37.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729536) is N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc(N(c3ccc4c5cc(-c6ccc7c8ccc(-c9cc%10c(cc9N(c9ccccc9)c9ccc%11c%12ccccc%12c%12ccccc%12c%11c9)C9(c%11ccccc%11-c%11ccccc%119)c9ccccc9-%10)cc8c8ccccc8c7c6)ccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5c6ccccc6c6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is JOSMTDKWTNENIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H84N2/c1-3-31-85(32-4-1)86-59-65-92(66-60-86)142(138-84-136-128(118-52-24-30-58-134(118)140(136)131-55-27-21-49-115(131)116-50-22-28-56-132(116)140)82-120(138)89-63-71-108-99-39-9-7-35-95(99)97-37-11-14-42-102(97)123(108)77-89)94-68-74-112-122-76-88(61-69-107(122)101-41-13-16-44-104(101)126(112)80-94)87-62-70-109-110-72-64-90(78-124(110)106-46-18-17-45-105(106)121(109)75-87)119-81-127-117-51-23-29-57-133(117)139(129-53-25-19-47-113(129)114-48-20-26-54-130(114)139)135(127)83-137(119)141(91-33-5-2-6-34-91)93-67-73-111-100-40-10-8-36-96(100)98-38-12-15-43-103(98)125(111)79-93/h1-84H.

What are the key properties of N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1794.23 g/mol, XLogP of 37.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).