N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine

C172H133N3 — CID 159720354

About N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine

N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 159720354) has the molecular formula C172H133N3 and a molecular weight of 2245.00 g/mol. Its IUPAC name is N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 159720354
• Molecular Formula: C172H133N3
• Molecular Weight: 2245.00 g/mol
• Exact Mass: 2243.07
• IUPAC Name: N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine
• SMILES: [2H]C1(c2ccc(-c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6-5)c5cc(C)ccc5-c5ccc(C)cc54)c3)cc2)CCC1.[2H]C1(c2ccc(-c3ccccc3N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)C=C1.[2H]C1(c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)C=C1
• InChI: InChI=1S/C58H47N.2C57H43N/c1-36-19-27-48-49-28-20-37(2)32-55(49)58(54(48)31-36)52-18-8-6-16-46(52)50-30-26-44(35-56(50)58)59(43-25-29-47-45-15-5-7-17-51(45)57(3,4)53(47)34-43)42-14-10-13-41(33-42)40-23-21-39(22-24-40)38-11-9-12-38;1-35-17-27-46-47-28-18-36(2)32-53(47)57(52(46)31-35)50-15-9-6-13-44(50)48-30-26-41(34-54(48)57)58(40-25-29-45-43-12-5-8-14-49(43)56(3,4)51(45)33-40)55-16-10-7-11-42(55)39-23-21-38(22-24-39)37-19-20-37;1-35-17-27-46-47-28-18-36(2)32-54(47)57(53(46)31-35)52-16-10-8-13-44(52)48-29-25-41(34-55(48)57)58(39-23-21-38(22-24-39)43-12-6-5-11-42(43)37-19-20-37)40-26-30-51-49(33-40)45-14-7-9-15-50(45)56(51,3)4/h5-8,10,13-35,38H,9,11-12H2,1-4H3;2*5-34,37H,1-4H3/i38D;2*37D
• InChIKey: MZYMPBMBHRRPTJ-IQJVLWCLSA-N
• XLogP: 44.84
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2245.00
LogP ≤ 5	44.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine (CID 159720354) is N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine is [2H]C1(c2ccc(-c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6-5)c5cc(C)ccc5-c5ccc(C)cc54)c3)cc2)CCC1.[2H]C1(c2ccc(-c3ccccc3N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)C=C1.[2H]C1(c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)C=C1.

What is the InChIKey of N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is MZYMPBMBHRRPTJ-IQJVLWCLSA-N. The full InChI is InChI=1S/C58H47N.2C57H43N/c1-36-19-27-48-49-28-20-37(2)32-55(49)58(54(48)31-36)52-18-8-6-16-46(52)50-30-26-44(35-56(50)58)59(43-25-29-47-45-15-5-7-17-51(45)57(3,4)53(47)34-43)42-14-10-13-41(33-42)40-23-21-39(22-24-40)38-11-9-12-38;1-35-17-27-46-47-28-18-36(2)32-53(47)57(52(46)31-35)50-15-9-6-13-44(50)48-30-26-41(34-54(48)57)58(40-25-29-45-43-12-5-8-14-49(43)56(3,4)51(45)33-40)55-16-10-7-11-42(55)39-23-21-38(22-24-39)37-19-20-37;1-35-17-27-46-47-28-18-36(2)32-54(47)57(53(46)31-35)52-16-10-8-13-44(52)48-29-25-41(34-55(48)57)58(39-23-21-38(22-24-39)43-12-6-5-11-42(43)37-19-20-37)40-26-30-51-49(33-40)45-14-7-9-15-50(45)56(51,3)4/h5-8,10,13-35,38H,9,11-12H2,1-4H3;2*5-34,37H,1-4H3/i38D;2*37D.

What are the key properties of N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine?

N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2245.00 g/mol, XLogP of 44.84, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 159720354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).