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

C100H60N10 — CID 154602990

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

3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole (PubChem CID 154602990) has the molecular formula C100H60N10 and a molecular weight of 1401.65 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole
• PubChem CID: 154602990
• Molecular Formula: C100H60N10
• Molecular Weight: 1401.65 g/mol
• Exact Mass: 1400.50
• IUPAC Name: 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole
• SMILES: [C-]#[N+]c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
• InChI: InChI=1S/C100H60N10/c1-101-65-45-51-93(110-96-54-48-68(107-88-40-20-12-32-74(88)75-33-13-21-41-89(75)107)60-82(96)83-61-69(49-55-97(83)110)108-90-42-22-14-34-76(90)77-35-15-23-43-91(77)108)79(57-65)78-56-64(100-103-98(62-24-4-2-5-25-62)102-99(104-100)63-26-6-3-7-27-63)44-50-92(78)109-94-52-46-66(105-84-36-16-8-28-70(84)71-29-9-17-37-85(71)105)58-80(94)81-59-67(47-53-95(81)109)106-86-38-18-10-30-72(86)73-31-11-19-39-87(73)106/h2-61H
• InChIKey: JLELMOKXFTVABF-UHFFFAOYSA-N
• XLogP: 25.67
• TPSA: 72.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1401.65
LogP ≤ 5	25.67
H-Bond Donors ≤ 5	0
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 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole?

The IUPAC name of 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole (CID 154602990) is 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole.

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

The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole is [C-]#[N+]c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.

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

The InChIKey is JLELMOKXFTVABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60N10/c1-101-65-45-51-93(110-96-54-48-68(107-88-40-20-12-32-74(88)75-33-13-21-41-89(75)107)60-82(96)83-61-69(49-55-97(83)110)108-90-42-22-14-34-76(90)77-35-15-23-43-91(77)108)79(57-65)78-56-64(100-103-98(62-24-4-2-5-25-62)102-99(104-100)63-26-6-3-7-27-63)44-50-92(78)109-94-52-46-66(105-84-36-16-8-28-70(84)71-29-9-17-37-85(71)105)58-80(94)81-59-67(47-53-95(81)109)106-86-38-18-10-30-72(86)73-31-11-19-39-87(73)106/h2-61H.

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

3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole has a molecular weight of 1401.65 g/mol, XLogP of 25.67, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole is sourced from PubChem (CID 154602990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).