5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C69H44N6 — CID 168729290

About 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 168729290) has the molecular formula C69H44N6 and a molecular weight of 957.15 g/mol. Its IUPAC name is 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 168729290
• Molecular Formula: C69H44N6
• Molecular Weight: 957.15 g/mol
• Exact Mass: 956.36
• IUPAC Name: 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c54)n3)cc2)cc1
• InChI: InChI=1S/C69H44N6/c1-4-19-45(20-5-1)48-35-37-50(38-36-48)67-70-68(52-26-18-25-51(43-52)47-23-8-3-9-24-47)72-69(71-67)75-62-34-17-13-30-57(62)64-63(74-60-32-15-10-27-54(60)55-28-11-16-33-61(55)74)44-58-56-29-12-14-31-59(56)73(65(58)66(64)75)53-41-39-49(40-42-53)46-21-6-2-7-22-46/h1-44H
• InChIKey: ZLQXMMINFHJINV-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.15
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 168729290) is 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c54)n3)cc2)cc1.

What is the InChIKey of 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is ZLQXMMINFHJINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N6/c1-4-19-45(20-5-1)48-35-37-50(38-36-48)67-70-68(52-26-18-25-51(43-52)47-23-8-3-9-24-47)72-69(71-67)75-62-34-17-13-30-57(62)64-63(74-60-32-15-10-27-54(60)55-28-11-16-33-61(55)74)44-58-56-29-12-14-31-59(56)73(65(58)66(64)75)53-41-39-49(40-42-53)46-21-6-2-7-22-46/h1-44H.

What are the key properties of 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 957.15 g/mol, XLogP of 17.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168729290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).