9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole

C84H50N2S — CID 146379800

About 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole

9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole (PubChem CID 146379800) has the molecular formula C84H50N2S and a molecular weight of 1119.41 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole
• PubChem CID: 146379800
• Molecular Formula: C84H50N2S
• Molecular Weight: 1119.41 g/mol
• Exact Mass: 1118.37
• IUPAC Name: 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole
• SMILES: c1cc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c4c5ccccc5c5ccccc5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
• InChI: InChI=1S/C84H50N2S/c1-2-23-62-60(21-1)61-22-3-5-26-65(61)73-45-55(35-39-67(62)73)53-19-15-17-51(43-53)52-18-16-20-54(44-52)57-47-72(84-71-31-8-7-25-64(71)63-24-4-6-27-66(63)77(84)48-57)56-36-40-81-74(46-56)70-30-11-14-34-80(70)86(81)59-38-42-83-76(50-59)75-49-58(37-41-82(75)87-83)85-78-32-12-9-28-68(78)69-29-10-13-33-79(69)85/h1-50H
• InChIKey: IWGCVCOQNHNGGU-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.41
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole?

The IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole (CID 146379800) is 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole.

What is the SMILES notation for 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole?

The canonical SMILES for 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole is c1cc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c4c5ccccc5c5ccccc5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.

What is the InChIKey of 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole?

The InChIKey is IWGCVCOQNHNGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N2S/c1-2-23-62-60(21-1)61-22-3-5-26-65(61)73-45-55(35-39-67(62)73)53-19-15-17-51(43-53)52-18-16-20-54(44-52)57-47-72(84-71-31-8-7-25-64(71)63-24-4-6-27-66(63)77(84)48-57)56-36-40-81-74(46-56)70-30-11-14-34-80(70)86(81)59-38-42-83-76(50-59)75-49-58(37-41-82(75)87-83)85-78-32-12-9-28-68(78)69-29-10-13-33-79(69)85/h1-50H.

What are the key properties of 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole?

9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole has a molecular weight of 1119.41 g/mol, XLogP of 23.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole is sourced from PubChem (CID 146379800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).