9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole

C88H72N6 — CID 154603135

About 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole

9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (PubChem CID 154603135) has the molecular formula C88H72N6 and a molecular weight of 1213.59 g/mol. Its IUPAC name is 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 154603135
• Molecular Formula: C88H72N6
• Molecular Weight: 1213.59 g/mol
• Exact Mass: 1212.58
• IUPAC Name: 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
• SMILES: [C-]#[N+]c1cccc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccc(-c3c(C)cc(C)cc3C)cc2c2cc(-c3c(C)cc(C)cc3C)ccc21
• InChI: InChI=1S/C88H72N6/c1-50-38-54(5)80(55(6)39-50)64-30-34-74-69(46-64)70-47-65(81-56(7)40-51(2)41-57(81)8)31-35-75(70)93(74)78-28-20-26-68(88-91-86(62-22-16-14-17-23-62)90-87(92-88)63-24-18-15-19-25-63)84(78)85-73(89-13)27-21-29-79(85)94-76-36-32-66(82-58(9)42-52(3)43-59(82)10)48-71(76)72-49-67(33-37-77(72)94)83-60(11)44-53(4)45-61(83)12/h14-49H,1-12H3
• InChIKey: IFNPPQCYVCWMSL-UHFFFAOYSA-N
• XLogP: 23.65
• TPSA: 52.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.59
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (CID 154603135) is 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.

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

The canonical SMILES for 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is [C-]#[N+]c1cccc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccc(-c3c(C)cc(C)cc3C)cc2c2cc(-c3c(C)cc(C)cc3C)ccc21.

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

The InChIKey is IFNPPQCYVCWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H72N6/c1-50-38-54(5)80(55(6)39-50)64-30-34-74-69(46-64)70-47-65(81-56(7)40-51(2)41-57(81)8)31-35-75(70)93(74)78-28-20-26-68(88-91-86(62-22-16-14-17-23-62)90-87(92-88)63-24-18-15-19-25-63)84(78)85-73(89-13)27-21-29-79(85)94-76-36-32-66(82-58(9)42-52(3)43-59(82)10)48-71(76)72-49-67(33-37-77(72)94)83-60(11)44-53(4)45-61(83)12/h14-49H,1-12H3.

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

9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole has a molecular weight of 1213.59 g/mol, XLogP of 23.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 154603135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).