11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole

C87H55N5 — CID 163752070

About 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole (PubChem CID 163752070) has the molecular formula C87H55N5 and a molecular weight of 1170.43 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 163752070
• Molecular Formula: C87H55N5
• Molecular Weight: 1170.43 g/mol
• Exact Mass: 1169.45
• IUPAC Name: 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole
• SMILES: C1=C(c2ccc3c4ccccc4c4ccccc4c3c2)C=C(c2cccc(-c3ccc4c(c3)c3ccccc3c3ccc(-c5ccc6c7ccc8c9ccccc9n(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7n(-c7ccccc7)c6c5)cc34)c2)CC1
• InChI: InChI=1S/C87H55N5/c1-4-20-54(21-5-1)85-88-86(55-22-6-2-7-23-55)90-87(89-85)92-81-37-17-16-36-74(81)76-46-47-77-75-45-41-63(53-82(75)91(83(77)84(76)92)64-28-8-3-9-29-64)62-39-43-72-68-33-13-15-35-70(68)79-51-61(40-44-73(79)80(72)52-62)59-27-19-25-57(49-59)56-24-18-26-58(48-56)60-38-42-71-67-32-11-10-30-65(67)66-31-12-14-34-69(66)78(71)50-60/h1-17,19-23,25-53H,18,24H2
• InChIKey: LQVJIANBALPCHK-UHFFFAOYSA-N
• XLogP: 22.91
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1170.43
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole (CID 163752070) is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole is C1=C(c2ccc3c4ccccc4c4ccccc4c3c2)C=C(c2cccc(-c3ccc4c(c3)c3ccccc3c3ccc(-c5ccc6c7ccc8c9ccccc9n(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7n(-c7ccccc7)c6c5)cc34)c2)CC1.

What is the InChIKey of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole?

The InChIKey is LQVJIANBALPCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H55N5/c1-4-20-54(21-5-1)85-88-86(55-22-6-2-7-23-55)90-87(89-85)92-81-37-17-16-36-74(81)76-46-47-77-75-45-41-63(53-82(75)91(83(77)84(76)92)64-28-8-3-9-29-64)62-39-43-72-68-33-13-15-35-70(68)79-51-61(40-44-73(79)80(72)52-62)59-27-19-25-57(49-59)56-24-18-26-58(48-56)60-38-42-71-67-32-11-10-30-65(67)66-31-12-14-34-69(66)78(71)50-60/h1-17,19-23,25-53H,18,24H2.

What are the key properties of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole?

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole has a molecular weight of 1170.43 g/mol, XLogP of 22.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 163752070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).