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

C73H54N2 — CID 176725773

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

1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine (PubChem CID 176725773) has the molecular formula C73H54N2 and a molecular weight of 1011.57 g/mol. Its IUPAC name is 1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine.

Molecular Properties

• Compound Name: 1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine
• PubChem CID: 176725773
• Molecular Formula: C73H54N2
• Molecular Weight: 1011.57 g/mol
• Exact Mass: 1010.76
• IUPAC Name: 1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine
• SMILES: [2H]c1cc2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c6c5-c5cc([2H])c([2H])c([2H])c5C6(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C4(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c([2H])c21
• InChI: InChI=1S/C73H54N2/c1-71(2)57-28-13-10-25-54(57)68-62(71)33-18-36-65(68)74(49-21-6-5-7-22-49)50-43-39-47(40-44-50)48-41-45-51(46-42-48)75(66-37-19-34-63-69(66)55-26-11-14-29-58(55)72(63,3)4)67-38-20-35-64-70(67)56-27-12-17-32-61(56)73(64)59-30-15-8-23-52(59)53-24-9-16-31-60(53)73/h5-46H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,26D,27D,28D,29D,30D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,46D
• InChIKey: TZQPFCZCFBLNJY-SNPZYFLKSA-N
• XLogP: 19.25
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.57
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine (CID 176725773) is 1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine.

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

The canonical SMILES for 1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine is [2H]c1cc2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c6c5-c5cc([2H])c([2H])c([2H])c5C6(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C4(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c([2H])c21.

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

The InChIKey is TZQPFCZCFBLNJY-SNPZYFLKSA-N. The full InChI is InChI=1S/C73H54N2/c1-71(2)57-28-13-10-25-54(57)68-62(71)33-18-36-65(68)74(49-21-6-5-7-22-49)50-43-39-47(40-44-50)48-41-45-51(46-42-48)75(66-37-19-34-63-69(66)55-26-11-14-29-58(55)72(63,3)4)67-38-20-35-64-70(67)56-27-12-17-32-61(56)73(64)59-30-15-8-23-52(59)53-24-9-16-31-60(53)73/h5-46H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,26D,27D,28D,29D,30D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,46D.

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

1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine has a molecular weight of 1011.57 g/mol, XLogP of 19.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine is sourced from PubChem (CID 176725773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).