9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole

C58H46N16 — CID 140846517

About 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole

9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 140846517) has the molecular formula C58H46N16 and a molecular weight of 967.12 g/mol. Its IUPAC name is 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
• PubChem CID: 140846517
• Molecular Formula: C58H46N16
• Molecular Weight: 967.12 g/mol
• Exact Mass: 966.41
• IUPAC Name: 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
• SMILES: [C-]#[N+]c1cc(-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)c(-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc1-c1cc(C)nc(C)c1
• InChI: InChI=1S/C58H46N16/c1-28-20-42(21-29(2)60-28)47-26-53(73-49-22-38(55-65-30(3)61-31(4)66-55)12-16-43(49)44-17-13-39(23-50(44)73)56-67-32(5)62-33(6)68-56)54(27-48(47)59-11)74-51-24-40(57-69-34(7)63-35(8)70-57)14-18-45(51)46-19-15-41(25-52(46)74)58-71-36(9)64-37(10)72-58/h12-27H,1-10H3
• InChIKey: XWFGODUGCTXVTH-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 181.79 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.12
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?

The IUPAC name of 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (CID 140846517) is 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.

What is the SMILES notation for 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?

The canonical SMILES for 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is [C-]#[N+]c1cc(-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)c(-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc1-c1cc(C)nc(C)c1.

What is the InChIKey of 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?

The InChIKey is XWFGODUGCTXVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N16/c1-28-20-42(21-29(2)60-28)47-26-53(73-49-22-38(55-65-30(3)61-31(4)66-55)12-16-43(49)44-17-13-39(23-50(44)73)56-67-32(5)62-33(6)68-56)54(27-48(47)59-11)74-51-24-40(57-69-34(7)63-35(8)70-57)14-18-45(51)46-19-15-41(25-52(46)74)58-71-36(9)64-37(10)72-58/h12-27H,1-10H3.

What are the key properties of 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?

9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 967.12 g/mol, XLogP of 11.99, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 140846517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).