1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine

C75H45N — CID 176725741

About 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine

1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 176725741) has the molecular formula C75H45N and a molecular weight of 1005.47 g/mol. Its IUPAC name is 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 176725741
• Molecular Formula: C75H45N
• Molecular Weight: 1005.47 g/mol
• Exact Mass: 1004.64
• IUPAC Name: 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C43c4c([2H])c([2H])c([2H])c([2H])c4-c4c([2H])c([2H])c([2H])c([2H])c43)c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C43c4c([2H])c([2H])c([2H])c([2H])c4-c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c21
• InChI: InChI=1S/C75H45N/c1-10-30-57-47(21-1)48-22-2-11-31-58(48)73(57)64-37-17-8-28-55(64)71-66(73)39-19-41-69(71)76(46-43-44-54-53-27-7-16-36-63(53)75(68(54)45-46)61-34-14-5-25-51(61)52-26-6-15-35-62(52)75)70-42-20-40-67-72(70)56-29-9-18-38-65(56)74(67)59-32-12-3-23-49(59)50-24-4-13-33-60(50)74/h1-45H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D
• InChIKey: HFOSBJRGNMCGMY-CIHDXZIOSA-N
• XLogP: 18.19
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.47
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine (CID 176725741) is 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C43c4c([2H])c([2H])c([2H])c([2H])c4-c4c([2H])c([2H])c([2H])c([2H])c43)c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C43c4c([2H])c([2H])c([2H])c([2H])c4-c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c21.

What is the InChIKey of 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is HFOSBJRGNMCGMY-CIHDXZIOSA-N. The full InChI is InChI=1S/C75H45N/c1-10-30-57-47(21-1)48-22-2-11-31-58(48)73(57)64-37-17-8-28-55(64)71-66(73)39-19-41-69(71)76(46-43-44-54-53-27-7-16-36-63(53)75(68(54)45-46)61-34-14-5-25-51(61)52-26-6-15-35-62(52)75)70-42-20-40-67-72(70)56-29-9-18-38-65(56)74(67)59-32-12-3-23-49(59)50-24-4-13-33-60(50)74/h1-45H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D.

What are the key properties of 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine?

1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1005.47 g/mol, XLogP of 18.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 176725741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).