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

C65H40N6 — CID 118041124

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

12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 118041124) has the molecular formula C65H40N6 and a molecular weight of 905.08 g/mol. Its IUPAC name is 12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 118041124
• Molecular Formula: C65H40N6
• Molecular Weight: 905.08 g/mol
• Exact Mass: 904.33
• IUPAC Name: 12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)n9)c8c76)c5)c4c32)cc1
• InChI: InChI=1S/C65H40N6/c1-2-18-41(19-3-1)67-54-28-10-6-24-46(54)50-36-37-51-47-25-7-11-29-55(47)68(63(51)62(50)67)42-20-16-21-43(40-42)69-56-30-12-8-26-48(56)52-38-39-53-49-27-9-15-33-59(49)71(65(53)64(52)69)61-35-17-34-60(66-61)70-57-31-13-4-22-44(57)45-23-5-14-32-58(45)70/h1-40H
• InChIKey: WBJORLYVBGVUAO-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 37.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.08
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole (CID 118041124) is 12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)n9)c8c76)c5)c4c32)cc1.

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

The InChIKey is WBJORLYVBGVUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N6/c1-2-18-41(19-3-1)67-54-28-10-6-24-46(54)50-36-37-51-47-25-7-11-29-55(47)68(63(51)62(50)67)42-20-16-21-43(40-42)69-56-30-12-8-26-48(56)52-38-39-53-49-27-9-15-33-59(49)71(65(53)64(52)69)61-35-17-34-60(66-61)70-57-31-13-4-22-44(57)45-23-5-14-32-58(45)70/h1-40H.

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

12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 905.08 g/mol, XLogP of 16.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 118041124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).