9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole

C88H51N9 — CID 129163834

About 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole

9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole (PubChem CID 129163834) has the molecular formula C88H51N9 and a molecular weight of 1234.44 g/mol. Its IUPAC name is 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole
• PubChem CID: 129163834
• Molecular Formula: C88H51N9
• Molecular Weight: 1234.44 g/mol
• Exact Mass: 1233.43
• IUPAC Name: 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole
• SMILES: c1ccc2c(c1)ccc1ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccc(-c6cccc7c6ccc6ccc(-c8nc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)nc(-n9c%10ccccc%10c%10ccccc%109)n8)cc67)cc54)n3)cc12
• InChI: InChI=1S/C88H51N9/c1-2-19-59-52(18-1)36-37-53-38-41-57(48-74(53)59)85-92-87(96-79-33-14-9-26-70(79)71-27-10-15-34-80(71)96)94-88(93-85)97-81-35-16-11-28-72(81)73-47-43-55(51-82(73)97)60-29-17-30-64-66(60)45-42-54-39-40-56(49-75(54)64)83-89-84(91-86(90-83)95-77-31-12-7-24-68(77)69-25-8-13-32-78(69)95)58-44-46-67-63-22-4-3-20-61(63)62-21-5-6-23-65(62)76(67)50-58/h1-51H
• InChIKey: GXURMMXRKPCQJN-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1234.44
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole?

The IUPAC name of 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole (CID 129163834) is 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole.

What is the SMILES notation for 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole?

The canonical SMILES for 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole is c1ccc2c(c1)ccc1ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccc(-c6cccc7c6ccc6ccc(-c8nc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)nc(-n9c%10ccccc%10c%10ccccc%109)n8)cc67)cc54)n3)cc12.

What is the InChIKey of 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole?

The InChIKey is GXURMMXRKPCQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H51N9/c1-2-19-59-52(18-1)36-37-53-38-41-57(48-74(53)59)85-92-87(96-79-33-14-9-26-70(79)71-27-10-15-34-80(71)96)94-88(93-85)97-81-35-16-11-28-72(81)73-47-43-55(51-82(73)97)60-29-17-30-64-66(60)45-42-54-39-40-56(49-75(54)64)83-89-84(91-86(90-83)95-77-31-12-7-24-68(77)69-25-8-13-32-78(69)95)58-44-46-67-63-22-4-3-20-61(63)62-21-5-6-23-65(62)76(67)50-58/h1-51H.

What are the key properties of 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole?

9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole has a molecular weight of 1234.44 g/mol, XLogP of 22.09, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-carbazol-9-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-2-[6-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenanthren-1-yl]carbazole is sourced from PubChem (CID 129163834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).