3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C221H149N3 — CID 161044266

About 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 161044266) has the molecular formula C221H149N3 and a molecular weight of 2846.64 g/mol. Its IUPAC name is 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 161044266
• Molecular Formula: C221H149N3
• Molecular Weight: 2846.64 g/mol
• Exact Mass: 2844.18
• IUPAC Name: 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3C(C)(C)c3ccccc3-5)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.CC1(C)c2ccccc2-c2cccc(-c3cc4c(cc3N(c3ccc(-c5ccc6ccccc6c5)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21.CC1(C)c2ccccc2-c2cccc(-c3cc4c(cc3N(c3ccc(-c5cccc6ccccc56)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21
• InChI: InChI=1S/2C74H49N.C73H51N/c1-73(2)66-33-13-9-28-59(66)61-31-18-32-62(72(61)73)65-44-64-60-29-12-16-36-69(60)74(67-34-14-10-26-57(67)58-27-11-15-35-68(58)74)70(64)45-71(65)75(48-39-37-47(38-40-48)51-30-17-20-46-19-3-4-21-50(46)51)49-41-42-56-54-24-6-5-22-52(54)53-23-7-8-25-55(53)63(56)43-49;1-73(2)66-30-13-9-26-59(66)61-28-17-29-62(72(61)73)65-44-64-60-27-12-16-33-69(60)74(67-31-14-10-24-57(67)58-25-11-15-32-68(58)74)70(64)45-71(65)75(50-38-36-47(37-39-50)49-35-34-46-18-3-4-19-48(46)42-49)51-40-41-56-54-22-6-5-20-52(54)53-21-7-8-23-55(53)63(56)43-51;1-71(2)62-31-14-9-24-51(62)56-39-37-45(41-67(56)71)74(44-36-38-50-48-22-6-5-20-46(48)47-21-7-8-23-49(47)59(50)40-44)69-43-68-60(42-61(69)58-30-19-29-57-54-27-10-15-32-63(54)72(3,4)70(57)58)55-28-13-18-35-66(55)73(68)64-33-16-11-25-52(64)53-26-12-17-34-65(53)73/h2*3-45H,1-2H3;5-43H,1-4H3
• InChIKey: UBHCEUPUVZHLDS-UHFFFAOYSA-N
• XLogP: 58.75
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2846.64
LogP ≤ 5	58.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 161044266) is 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3C(C)(C)c3ccccc3-5)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.CC1(C)c2ccccc2-c2cccc(-c3cc4c(cc3N(c3ccc(-c5ccc6ccccc6c5)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21.CC1(C)c2ccccc2-c2cccc(-c3cc4c(cc3N(c3ccc(-c5cccc6ccccc56)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21.

What is the InChIKey of 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is UBHCEUPUVZHLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C74H49N.C73H51N/c1-73(2)66-33-13-9-28-59(66)61-31-18-32-62(72(61)73)65-44-64-60-29-12-16-36-69(60)74(67-34-14-10-26-57(67)58-27-11-15-35-68(58)74)70(64)45-71(65)75(48-39-37-47(38-40-48)51-30-17-20-46-19-3-4-21-50(46)51)49-41-42-56-54-24-6-5-22-52(54)53-23-7-8-25-55(53)63(56)43-49;1-73(2)66-30-13-9-26-59(66)61-28-17-29-62(72(61)73)65-44-64-60-27-12-16-33-69(60)74(67-31-14-10-24-57(67)58-25-11-15-32-68(58)74)70(64)45-71(65)75(50-38-36-47(37-39-50)49-35-34-46-18-3-4-19-48(46)42-49)51-40-41-56-54-22-6-5-20-52(54)53-21-7-8-23-55(53)63(56)43-51;1-71(2)62-31-14-9-24-51(62)56-39-37-45(41-67(56)71)74(44-36-38-50-48-22-6-5-20-46(48)47-21-7-8-23-49(47)59(50)40-44)69-43-68-60(42-61(69)58-30-19-29-57-54-27-10-15-32-63(54)72(3,4)70(57)58)55-28-13-18-35-66(55)73(68)64-33-16-11-25-52(64)53-26-12-17-34-65(53)73/h2*3-45H,1-2H3;5-43H,1-4H3.

What are the key properties of 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 2846.64 g/mol, XLogP of 58.75, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 161044266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).