1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine

C53H35N — CID 168759206

About 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine

1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine (PubChem CID 168759206) has the molecular formula C53H35N and a molecular weight of 720.08 g/mol. Its IUPAC name is 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine.

Molecular Properties

• Compound Name: 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
• PubChem CID: 168759206
• Molecular Formula: C53H35N
• Molecular Weight: 720.08 g/mol
• Exact Mass: 719.49
• IUPAC Name: 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
• SMILES: [2H]c1cc(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c4c(c3[2H])C3(c5c([2H])c([2H])c([2H])c([2H])c5-c5c([2H])c([2H])c([2H])c([2H])c53)c3c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c3-4)c([2H])c2[2H])c([2H])c([2H])c1[2H]
• InChI: InChI=1S/C53H35N/c1-3-13-36(14-4-1)38-23-28-41(29-24-38)54(42-30-25-39(26-31-42)37-15-5-2-6-16-37)43-32-33-47-51(35-43)53(50-34-27-40-17-7-8-18-44(40)52(47)50)48-21-11-9-19-45(48)46-20-10-12-22-49(46)53/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D
• InChIKey: STWVQAZGNSSAQJ-UQZMPWPXSA-N
• XLogP: 13.99
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.08
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?

The IUPAC name of 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine (CID 168759206) is 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine.

What is the SMILES notation for 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?

The canonical SMILES for 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine is [2H]c1cc(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c4c(c3[2H])C3(c5c([2H])c([2H])c([2H])c([2H])c5-c5c([2H])c([2H])c([2H])c([2H])c53)c3c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c3-4)c([2H])c2[2H])c([2H])c([2H])c1[2H].

What is the InChIKey of 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?

The InChIKey is STWVQAZGNSSAQJ-UQZMPWPXSA-N. The full InChI is InChI=1S/C53H35N/c1-3-13-36(14-4-1)38-23-28-41(29-24-38)54(42-30-25-39(26-31-42)37-15-5-2-6-16-37)43-32-33-47-51(35-43)53(50-34-27-40-17-7-8-18-44(40)52(47)50)48-21-11-9-19-45(48)46-20-10-12-22-49(46)53/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D.

What are the key properties of 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?

1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine has a molecular weight of 720.08 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1',2,2',3,3',4,4',5,5',6,6',7',8,8',10,11-heptadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine is sourced from PubChem (CID 168759206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).