9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole

C83H53N9 — CID 137369097

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

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole (PubChem CID 137369097) has the molecular formula C83H53N9 and a molecular weight of 1176.40 g/mol. Its IUPAC name is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole
• PubChem CID: 137369097
• Molecular Formula: C83H53N9
• Molecular Weight: 1176.40 g/mol
• Exact Mass: 1175.44
• IUPAC Name: 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C83H53N9/c1-8-25-54(26-9-1)61-43-47-73-67(51-61)68-52-62(55-27-10-2-11-28-55)44-48-74(68)92(73)77-65(82-87-78(57-31-14-4-15-32-57)85-79(88-82)58-33-16-5-17-34-58)46-50-75(76(77)83-89-80(59-35-18-6-19-36-59)86-81(90-83)60-37-20-7-21-38-60)91-71-42-23-22-39-64(71)66-53-63(45-49-72(66)91)70-41-24-40-69(84-70)56-29-12-3-13-30-56/h1-53H
• InChIKey: DBXCYDOIIDNGCE-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 100.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.40
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole (CID 137369097) is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole.

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

The canonical SMILES for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.

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

The InChIKey is DBXCYDOIIDNGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H53N9/c1-8-25-54(26-9-1)61-43-47-73-67(51-61)68-52-62(55-27-10-2-11-28-55)44-48-74(68)92(73)77-65(82-87-78(57-31-14-4-15-32-57)85-79(88-82)58-33-16-5-17-34-58)46-50-75(76(77)83-89-80(59-35-18-6-19-36-59)86-81(90-83)60-37-20-7-21-38-60)91-71-42-23-22-39-64(71)66-53-63(45-49-72(66)91)70-41-24-40-69(84-70)56-29-12-3-13-30-56/h1-53H.

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

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 1176.40 g/mol, XLogP of 20.32, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 137369097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).