12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

C65H42N6 — CID 122626271

About 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 122626271) has the molecular formula C65H42N6 and a molecular weight of 907.09 g/mol. Its IUPAC name is 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
• PubChem CID: 122626271
• Molecular Formula: C65H42N6
• Molecular Weight: 907.09 g/mol
• Exact Mass: 906.35
• IUPAC Name: 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
• SMILES: C1=CC2c3ccccc3NC2c2c1c1ccccc1n2-c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)n1
• InChI: InChI=1S/C65H42N6/c1-2-16-42(17-3-1)69-57-27-13-7-22-48(57)52-36-37-53-49-23-9-15-29-59(49)71(65(53)64(52)69)61-39-41(40-30-32-43(33-31-40)68-55-25-11-5-19-45(55)46-20-6-12-26-56(46)68)38-60(67-61)70-58-28-14-8-21-47(58)51-35-34-50-44-18-4-10-24-54(44)66-62(50)63(51)70/h1-39,50,62,66H
• InChIKey: XTUGPGVHVZGTRA-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 44.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.09
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?

The IUPAC name of 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (CID 122626271) is 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is C1=CC2c3ccccc3NC2c2c1c1ccccc1n2-c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)n1.

What is the InChIKey of 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?

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

What are the key properties of 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?

12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 907.09 g/mol, XLogP of 16.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 122626271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).