1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole

C54H34N2S — CID 176854244

About 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole

1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 176854244) has the molecular formula C54H34N2S and a molecular weight of 766.09 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 176854244
• Molecular Formula: C54H34N2S
• Molecular Weight: 766.09 g/mol
• Exact Mass: 765.39
• IUPAC Name: 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole
• SMILES: [2H]c1cc([2H])cc(-c2c([2H])cc(-c3c([2H])c([2H])c([2H])c4sc5c([2H])c(-n6c7ccc(-c8c([2H])c([2H])c([2H])c9c%10c([2H])c([2H])c([2H])c([2H])c%10n(-c%10ccccc%10)c89)c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c([2H])c([2H])c5c34)c([2H])c2[2H])c1
• InChI: InChI=1S/C54H34N2S/c1-3-13-35(14-4-1)36-25-27-37(28-26-36)41-19-12-24-51-53(41)46-31-30-40(34-52(46)57-51)55-48-22-9-8-18-44(48)47-33-38(29-32-50(47)55)42-20-11-21-45-43-17-7-10-23-49(43)56(54(42)45)39-15-5-2-6-16-39/h1-34H/i3D,4D,7D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,30D,31D,33D,34D
• InChIKey: RSQQTQBXKBNXFY-SCHTUKPNSA-N
• XLogP: 15.25
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.09
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole (CID 176854244) is 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole is [2H]c1cc([2H])cc(-c2c([2H])cc(-c3c([2H])c([2H])c([2H])c4sc5c([2H])c(-n6c7ccc(-c8c([2H])c([2H])c([2H])c9c%10c([2H])c([2H])c([2H])c([2H])c%10n(-c%10ccccc%10)c89)c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c([2H])c([2H])c5c34)c([2H])c2[2H])c1.

What is the InChIKey of 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is RSQQTQBXKBNXFY-SCHTUKPNSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-13-35(14-4-1)36-25-27-37(28-26-36)41-19-12-24-51-53(41)46-31-30-40(34-52(46)57-51)55-48-22-9-8-18-44(48)47-33-38(29-32-50(47)55)42-20-11-21-45-43-17-7-10-23-49(43)56(54(42)45)39-15-5-2-6-16-39/h1-34H/i3D,4D,7D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,30D,31D,33D,34D.

What are the key properties of 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole?

1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 766.09 g/mol, XLogP of 15.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7-heptadeuterio-8-[4,5,6,7,8-pentadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[2,3,5-trideuterio-4-(3,5-dideuteriophenyl)phenyl]dibenzothiophen-3-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 176854244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).