3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole

C69H46N6 — CID 168748082

About 3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole

3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole (PubChem CID 168748082) has the molecular formula C69H46N6 and a molecular weight of 959.17 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
• PubChem CID: 168748082
• Molecular Formula: C69H46N6
• Molecular Weight: 959.17 g/mol
• Exact Mass: 958.38
• IUPAC Name: 3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
• SMILES: C1=Cc2c(n(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3c(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccccc3)c3ccccc23)CC1
• InChI: InChI=1S/C69H46N6/c1-5-21-45(22-6-1)56-41-49(69-71-67(47-25-9-3-10-26-47)70-68(72-69)48-27-11-4-12-28-48)42-57(46-23-7-2-8-24-46)66(56)75-64-39-37-50(73-60-33-17-13-29-52(60)53-30-14-18-34-61(53)73)43-58(64)59-44-51(38-40-65(59)75)74-62-35-19-15-31-54(62)55-32-16-20-36-63(55)74/h1-19,21-35,37-44H,20,36H2
• InChIKey: DTIFWDGTWBDASH-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.17
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole (CID 168748082) is 3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole.

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

The canonical SMILES for 3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole is C1=Cc2c(n(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3c(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccccc3)c3ccccc23)CC1.

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

The InChIKey is DTIFWDGTWBDASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N6/c1-5-21-45(22-6-1)56-41-49(69-71-67(47-25-9-3-10-26-47)70-68(72-69)48-27-11-4-12-28-48)42-57(46-23-7-2-8-24-46)66(56)75-64-39-37-50(73-60-33-17-13-29-52(60)53-30-14-18-34-61(53)73)43-58(64)59-44-51(38-40-65(59)75)74-62-35-19-15-31-54(62)55-32-16-20-36-63(55)74/h1-19,21-35,37-44H,20,36H2.

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

3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole has a molecular weight of 959.17 g/mol, XLogP of 17.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole is sourced from PubChem (CID 168748082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).