3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole

C43H27NO — CID 177299189

About 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole

3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole (PubChem CID 177299189) has the molecular formula C43H27NO and a molecular weight of 588.79 g/mol. Its IUPAC name is 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole
• PubChem CID: 177299189
• Molecular Formula: C43H27NO
• Molecular Weight: 588.79 g/mol
• Exact Mass: 588.30
• IUPAC Name: 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c21
• InChI: InChI=1S/C43H27NO/c1-2-12-30(13-3-1)44-39-20-10-6-16-33(39)34-26-28(22-24-40(34)44)29-23-25-42-38(27-29)43(37-19-9-11-21-41(37)45-42)35-17-7-4-14-31(35)32-15-5-8-18-36(32)43/h1-27H/i4D,5D,7D,8D,9D,11D,14D,15D,17D,18D,19D,21D,23D,25D,27D
• InChIKey: HUDWKKCUZSBSNT-SPQAJZDSSA-N
• XLogP: 10.92
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.79
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole?

The IUPAC name of 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole (CID 177299189) is 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole.

What is the SMILES notation for 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole?

The canonical SMILES for 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c21.

What is the InChIKey of 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole?

The InChIKey is HUDWKKCUZSBSNT-SPQAJZDSSA-N. The full InChI is InChI=1S/C43H27NO/c1-2-12-30(13-3-1)44-39-20-10-6-16-33(39)34-26-28(22-24-40(34)44)29-23-25-42-38(27-29)43(37-19-9-11-21-41(37)45-42)35-17-7-4-14-31(35)32-15-5-8-18-36(32)43/h1-27H/i4D,5D,7D,8D,9D,11D,14D,15D,17D,18D,19D,21D,23D,25D,27D.

What are the key properties of 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole?

3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole has a molecular weight of 588.79 g/mol, XLogP of 10.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole is sourced from PubChem (CID 177299189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).