12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole

C65H42N6 — CID 129209235

About 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole

12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole (PubChem CID 129209235) has the molecular formula C65H42N6 and a molecular weight of 907.09 g/mol. Its IUPAC name is 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole
• PubChem CID: 129209235
• Molecular Formula: C65H42N6
• Molecular Weight: 907.09 g/mol
• Exact Mass: 906.35
• IUPAC Name: 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole
• SMILES: C1=CCc2c(c3ccccc3n2-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)n8)c7)c6c54)c3)n2)C=C1
• InChI: InChI=1S/C65H42N6/c1-2-22-46-47-23-4-11-33-59(47)70(58(46)30-3-1)62-36-16-28-54(66-62)42-18-14-20-44(40-42)68-56-31-9-7-26-50(56)52-38-39-53-51-27-8-10-32-57(51)69(65(53)64(52)68)45-21-15-19-43(41-45)55-29-17-37-63(67-55)71-60-34-12-5-24-48(60)49-25-6-13-35-61(49)71/h1-29,31-41H,30H2
• InChIKey: GRPRVCOILKRJAW-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.09
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole?

The IUPAC name of 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole (CID 129209235) is 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole is C1=CCc2c(c3ccccc3n2-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)n8)c7)c6c54)c3)n2)C=C1.

What is the InChIKey of 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole?

The InChIKey is GRPRVCOILKRJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N6/c1-2-22-46-47-23-4-11-33-59(47)70(58(46)30-3-1)62-36-16-28-54(66-62)42-18-14-20-44(40-42)68-56-31-9-7-26-50(56)52-38-39-53-51-27-8-10-32-57(51)69(65(53)64(52)68)45-21-15-19-43(41-45)55-29-17-37-63(67-55)71-60-34-12-5-24-48(60)49-25-6-13-35-61(49)71/h1-29,31-41H,30H2.

What are the key properties of 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole?

12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 907.09 g/mol, XLogP of 16.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 129209235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).