1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine

C52H37N — CID 168750056

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

1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine (PubChem CID 168750056) has the molecular formula C52H37N and a molecular weight of 713.10 g/mol. Its IUPAC name is 1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

• Compound Name: 1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
• PubChem CID: 168750056
• Molecular Formula: C52H37N
• Molecular Weight: 713.10 g/mol
• Exact Mass: 712.52
• IUPAC Name: 1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2N(c2c([2H])c([2H])c3c(c2[2H])-c2c([2H])c([2H])c([2H])c([2H])c2C32c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c32)c2c([2H])c([2H])c3c(c2[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c2c([2H])c([2H])c([2H])c([2H])c2-3)c([2H])c1[2H]
• InChI: InChI=1S/C52H37N/c1-51(2)44-23-11-6-19-38(44)42-30-28-36(33-49(42)51)53(50-27-15-10-18-37(50)34-16-4-3-5-17-34)35-29-31-48-43(32-35)41-22-9-14-26-47(41)52(48)45-24-12-7-20-39(45)40-21-8-13-25-46(40)52/h3-33H,1-2H3/i1D3,2D3,3D,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
• InChIKey: QWTBGWLWHTXVDB-XUWGTDDWSA-N
• XLogP: 13.47
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.10
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine (CID 168750056) is 1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine.

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

The canonical SMILES for 1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2N(c2c([2H])c([2H])c3c(c2[2H])-c2c([2H])c([2H])c([2H])c([2H])c2C32c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c32)c2c([2H])c([2H])c3c(c2[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c2c([2H])c([2H])c([2H])c([2H])c2-3)c([2H])c1[2H].

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

The InChIKey is QWTBGWLWHTXVDB-XUWGTDDWSA-N. The full InChI is InChI=1S/C52H37N/c1-51(2)44-23-11-6-19-38(44)42-30-28-36(33-49(42)51)53(50-27-15-10-18-37(50)34-16-4-3-5-17-34)35-29-31-48-43(32-35)41-22-9-14-26-47(41)52(48)45-24-12-7-20-39(45)40-21-8-13-25-46(40)52/h3-33H,1-2H3/i1D3,2D3,3D,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.

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

1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 713.10 g/mol, XLogP of 13.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 168750056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).