9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile

C119H73N13 — CID 160940541

About 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile

9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile (PubChem CID 160940541) has the molecular formula C119H73N13 and a molecular weight of 1684.98 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile.

Molecular Properties

• Compound Name: 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
• PubChem CID: 160940541
• Molecular Formula: C119H73N13
• Molecular Weight: 1684.98 g/mol
• Exact Mass: 1683.61
• IUPAC Name: 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
• SMILES: [C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C56H32N6.C33H21N5.C30H20N2/c1-58-52-53(59-44-26-10-2-18-35(44)36-19-3-11-27-45(36)59)43(34-57)54(60-46-28-12-4-20-37(46)38-21-5-13-29-47(38)60)56(62-50-32-16-8-24-41(50)42-25-9-17-33-51(42)62)55(52)61-48-30-14-6-22-39(48)40-23-7-15-31-49(40)61;1-2-12-22(13-3-1)31-34-32(37-27-18-8-4-14-23(27)24-15-5-9-19-28(24)37)36-33(35-31)38-29-20-10-6-16-25(29)26-17-7-11-21-30(26)38;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h2-33H;1-21H;1-20H
• InChIKey: SULKCMJHIVXXOT-UHFFFAOYSA-N
• XLogP: 30.11
• TPSA: 106.26 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.98
LogP ≤ 5	30.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile?

The IUPAC name of 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile (CID 160940541) is 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile.

What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile?

The canonical SMILES for 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile is [C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile?

The InChIKey is SULKCMJHIVXXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6.C33H21N5.C30H20N2/c1-58-52-53(59-44-26-10-2-18-35(44)36-19-3-11-27-45(36)59)43(34-57)54(60-46-28-12-4-20-37(46)38-21-5-13-29-47(38)60)56(62-50-32-16-8-24-41(50)42-25-9-17-33-51(42)62)55(52)61-48-30-14-6-22-39(48)40-23-7-15-31-49(40)61;1-2-12-22(13-3-1)31-34-32(37-27-18-8-4-14-23(27)24-15-5-9-19-28(24)37)36-33(35-31)38-29-20-10-6-16-25(29)26-17-7-11-21-30(26)38;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h2-33H;1-21H;1-20H.

What are the key properties of 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile?

9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile has a molecular weight of 1684.98 g/mol, XLogP of 30.11, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile is sourced from PubChem (CID 160940541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).