12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole

C57H35N7 — CID 58038308

About 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole

12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole (PubChem CID 58038308) has the molecular formula C57H35N7 and a molecular weight of 817.96 g/mol. Its IUPAC name is 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
• PubChem CID: 58038308
• Molecular Formula: C57H35N7
• Molecular Weight: 817.96 g/mol
• Exact Mass: 817.30
• IUPAC Name: 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
• SMILES: c1cc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8ccccc87)n6)c5c43)n2)nc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C57H35N7/c1-7-24-46-36(16-1)37-17-2-8-25-47(37)61(46)52-30-13-22-44(58-52)45-23-14-31-53(59-45)63-50-28-11-5-20-40(50)42-34-35-43-41-21-6-12-29-51(41)64(57(43)56(42)63)55-33-15-32-54(60-55)62-48-26-9-3-18-38(48)39-19-4-10-27-49(39)62/h1-35H
• InChIKey: DTUNORKGVYREKD-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.96
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole?

The IUPAC name of 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole (CID 58038308) is 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole is c1cc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8ccccc87)n6)c5c43)n2)nc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole?

The InChIKey is DTUNORKGVYREKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N7/c1-7-24-46-36(16-1)37-17-2-8-25-47(37)61(46)52-30-13-22-44(58-52)45-23-14-31-53(59-45)63-50-28-11-5-20-40(50)42-34-35-43-41-21-6-12-29-51(41)64(57(43)56(42)63)55-33-15-32-54(60-55)62-48-26-9-3-18-38(48)39-19-4-10-27-49(39)62/h1-35H.

What are the key properties of 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole?

12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole has a molecular weight of 817.96 g/mol, XLogP of 13.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 58038308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).