3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole

C107H67N11 — CID 159271639

About 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole

3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole (PubChem CID 159271639) has the molecular formula C107H67N11 and a molecular weight of 1506.79 g/mol. Its IUPAC name is 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole
• PubChem CID: 159271639
• Molecular Formula: C107H67N11
• Molecular Weight: 1506.79 g/mol
• Exact Mass: 1505.56
• IUPAC Name: 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole
• SMILES: [C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c([N+]#[C-])c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)=N2)cc1
• InChI: InChI=1S/C56H32N6.C51H35N5/c1-57-51-53(59-43-27-11-3-19-35(43)36-20-4-12-28-44(36)59)52(58-2)55(61-47-31-15-7-23-39(47)40-24-8-16-32-48(40)61)56(62-49-33-17-9-25-41(49)42-26-10-18-34-50(42)62)54(51)60-45-29-13-5-21-37(45)38-22-6-14-30-46(38)60;1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-19-14-22-40(31-38)56-45-25-12-10-23-41(45)43-29-27-37(33-48(43)56)36-28-30-47-44(32-36)42-24-11-13-26-46(42)55(47)39-20-8-3-9-21-39/h3-34H;1-33,49H,(H,52,53,54)
• InChIKey: KXUBXTYKISTCKI-UHFFFAOYSA-N
• XLogP: 27.22
• TPSA: 75.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1506.79
LogP ≤ 5	27.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole (CID 159271639) is 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole.

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

The canonical SMILES for 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole is [C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c([N+]#[C-])c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)=N2)cc1.

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

The InChIKey is KXUBXTYKISTCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6.C51H35N5/c1-57-51-53(59-43-27-11-3-19-35(43)36-20-4-12-28-44(36)59)52(58-2)55(61-47-31-15-7-23-39(47)40-24-8-16-32-48(40)61)56(62-49-33-17-9-25-41(49)42-26-10-18-34-50(42)62)54(51)60-45-29-13-5-21-37(45)38-22-6-14-30-46(38)60;1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-19-14-22-40(31-38)56-45-25-12-10-23-41(45)43-29-27-37(33-48(43)56)36-28-30-47-44(32-36)42-24-11-13-26-46(42)55(47)39-20-8-3-9-21-39/h3-34H;1-33,49H,(H,52,53,54).

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

3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole has a molecular weight of 1506.79 g/mol, XLogP of 27.22, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole is sourced from PubChem (CID 159271639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).