1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C43H28N2S — CID 164996041

About 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 164996041) has the molecular formula C43H28N2S and a molecular weight of 629.93 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 164996041
• Molecular Formula: C43H28N2S
• Molecular Weight: 629.93 g/mol
• Exact Mass: 629.35
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n5-c4c([2H])c([2H])c5sc6c([2H])c(C)c([2H])c([2H])c6c5c4[2H])c([2H])c([2H])c32)c([2H])c1[2H]
• InChI: InChI=1S/C43H28N2S/c1-27-15-19-34-37-26-31(18-22-42(37)46-43(34)23-27)45-39-14-8-6-12-33(39)36-25-29(17-21-41(36)45)28-16-20-40-35(24-28)32-11-5-7-13-38(32)44(40)30-9-3-2-4-10-30/h2-26H,1H3/i2D,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: RDUOLPPIISIUMD-WKQHDLTDSA-N
• XLogP: 12.22
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.93
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 164996041) is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n5-c4c([2H])c([2H])c5sc6c([2H])c(C)c([2H])c([2H])c6c5c4[2H])c([2H])c([2H])c32)c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The InChIKey is RDUOLPPIISIUMD-WKQHDLTDSA-N. The full InChI is InChI=1S/C43H28N2S/c1-27-15-19-34-37-26-31(18-22-42(37)46-43(34)23-27)45-39-14-8-6-12-33(39)36-25-29(17-21-41(36)45)28-16-20-40-35(24-28)32-11-5-7-13-38(32)44(40)30-9-3-2-4-10-30/h2-26H,1H3/i2D,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-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 629.93 g/mol, XLogP of 12.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 164996041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).