3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

C126H78N10 — CID 158716979

About 3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 158716979) has the molecular formula C126H78N10 and a molecular weight of 1732.08 g/mol. Its IUPAC name is 3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• PubChem CID: 158716979
• Molecular Formula: C126H78N10
• Molecular Weight: 1732.08 g/mol
• Exact Mass: 1730.64
• IUPAC Name: 3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)n2)cc1
• InChI: InChI=1S/C69H43N5.C57H35N5/c1-5-17-44(18-6-1)47-30-35-63-59(39-47)60-41-49(32-36-64(60)73(63)52-23-11-4-12-24-52)50-33-38-66-62(42-50)61-40-48(45-19-7-2-8-20-45)31-37-65(61)74(66)69-71-67(46-21-9-3-10-22-46)70-68(72-69)51-29-34-57-55-27-14-13-25-53(55)54-26-15-16-28-56(54)58(57)43-51;1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)62-52-26-14-12-24-47(52)50-34-39(28-32-54(50)62)38-27-31-53-49(33-38)46-23-11-13-25-51(46)61(53)40-29-30-45-43-21-8-7-19-41(43)42-20-9-10-22-44(42)48(45)35-40/h1-43H;1-35H
• InChIKey: IJKYFZZQQNZXSZ-UHFFFAOYSA-N
• XLogP: 32.39
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1732.08
LogP ≤ 5	32.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (CID 158716979) is 3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

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

The canonical SMILES for 3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)n2)cc1.

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

The InChIKey is IJKYFZZQQNZXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5.C57H35N5/c1-5-17-44(18-6-1)47-30-35-63-59(39-47)60-41-49(32-36-64(60)73(63)52-23-11-4-12-24-52)50-33-38-66-62(42-50)61-40-48(45-19-7-2-8-20-45)31-37-65(61)74(66)69-71-67(46-21-9-3-10-22-46)70-68(72-69)51-29-34-57-55-27-14-13-25-53(55)54-26-15-16-28-56(54)58(57)43-51;1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)62-52-26-14-12-24-47(52)50-34-39(28-32-54(50)62)38-27-31-53-49(33-38)46-23-11-13-25-51(46)61(53)40-29-30-45-43-21-8-7-19-41(43)42-20-9-10-22-44(42)48(45)35-40/h1-43H;1-35H.

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

3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole has a molecular weight of 1732.08 g/mol, XLogP of 32.39, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 158716979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).