3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole

C81H53N5 — CID 146280568

About 3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole

3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole (PubChem CID 146280568) has the molecular formula C81H53N5 and a molecular weight of 1096.35 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
• PubChem CID: 146280568
• Molecular Formula: C81H53N5
• Molecular Weight: 1096.35 g/mol
• Exact Mass: 1095.43
• IUPAC Name: 3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6ccc(-c7ccccc7)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c(-c5ccccc5)c4)n3)cc2)cc1
• InChI: InChI=1S/C81H53N5/c1-7-23-54(24-8-1)58-39-41-61(42-40-58)79-82-80(65-48-63(56-27-11-3-12-28-56)47-64(49-65)57-29-13-4-14-30-57)84-81(83-79)66-51-70(59-31-15-5-16-32-59)78(71(52-66)60-33-17-6-18-34-60)86-76-45-43-62(55-25-9-2-10-26-55)50-72(76)73-53-67(44-46-77(73)86)85-74-37-21-19-35-68(74)69-36-20-22-38-75(69)85/h1-53H
• InChIKey: HVDKHTIHQMSEAV-UHFFFAOYSA-N
• XLogP: 21.07
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.35
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole (CID 146280568) is 3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6ccc(-c7ccccc7)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c(-c5ccccc5)c4)n3)cc2)cc1.

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

The InChIKey is HVDKHTIHQMSEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H53N5/c1-7-23-54(24-8-1)58-39-41-61(42-40-58)79-82-80(65-48-63(56-27-11-3-12-28-56)47-64(49-65)57-29-13-4-14-30-57)84-81(83-79)66-51-70(59-31-15-5-16-32-59)78(71(52-66)60-33-17-6-18-34-60)86-76-45-43-62(55-25-9-2-10-26-55)50-72(76)73-53-67(44-46-77(73)86)85-74-37-21-19-35-68(74)69-36-20-22-38-75(69)85/h1-53H.

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

3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole has a molecular weight of 1096.35 g/mol, XLogP of 21.07, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole is sourced from PubChem (CID 146280568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).