1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole

C43H27N — CID 168750110

About 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole

1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 168750110) has the molecular formula C43H27N and a molecular weight of 583.85 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole
• PubChem CID: 168750110
• Molecular Formula: C43H27N
• Molecular Weight: 583.85 g/mol
• Exact Mass: 583.38
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole
• SMILES: [2H]c1c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c32)cc2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c21
• InChI: InChI=1S/C43H27N/c1-2-12-28(13-3-1)29-22-25-42-36(26-29)35-17-7-11-21-41(35)44(42)30-23-24-34-33-16-6-10-20-39(33)43(40(34)27-30)37-18-8-4-14-31(37)32-15-5-9-19-38(32)43/h1-27H/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
• InChIKey: LWDNSLQOZPKZSW-JDLHVYKBSA-N
• XLogP: 10.79
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.85
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole (CID 168750110) is 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole.

What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole is [2H]c1c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c32)cc2c(c1[2H])-c1c([2H])c([2H])c([2H])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 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole?

The InChIKey is LWDNSLQOZPKZSW-JDLHVYKBSA-N. The full InChI is InChI=1S/C43H27N/c1-2-12-28(13-3-1)29-22-25-42-36(26-29)35-17-7-11-21-41(35)44(42)30-23-24-34-33-16-6-10-20-39(33)43(40(34)27-30)37-18-8-4-14-31(37)32-15-5-9-19-38(32)43/h1-27H/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.

What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole?

1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 583.85 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(1',2',3,3',4,4',5,5',6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 168750110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).