9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole

C99H64N6 — CID 152665816

About 9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole

9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole (PubChem CID 152665816) has the molecular formula C99H64N6 and a molecular weight of 1337.64 g/mol. Its IUPAC name is 9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole
• PubChem CID: 152665816
• Molecular Formula: C99H64N6
• Molecular Weight: 1337.64 g/mol
• Exact Mass: 1336.52
• IUPAC Name: 9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole
• SMILES: c1ccc(-c2cc(-c3cccc(-c4c(-n5c6cccc(-c7ccccc7)c6c6c(-c7ccccc7)cccc65)cnc(-n5c6cccc(-c7ccccc7)c6c6c(-c7ccccc7)cccc65)c4-n4c5cccc(-c6ccccc6)c5c5c(-c6ccccc6)cccc54)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C99H64N6/c1-9-32-65(33-10-1)75-50-26-56-83-91(75)92-76(66-34-11-2-12-35-66)51-27-57-84(92)103(83)89-64-100-99(105-87-60-30-54-79(69-40-17-5-18-41-69)95(87)96-80(55-31-61-88(96)105)70-42-19-6-20-43-70)97(90(89)74-49-25-48-73(62-74)82-63-81(71-44-21-7-22-45-71)101-98(102-82)72-46-23-8-24-47-72)104-85-58-28-52-77(67-36-13-3-14-37-67)93(85)94-78(53-29-59-86(94)104)68-38-15-4-16-39-68/h1-64H
• InChIKey: ZKMJAPDOHYSVMV-UHFFFAOYSA-N
• XLogP: 25.83
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1337.64
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole (CID 152665816) is 9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole.

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

The canonical SMILES for 9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole is c1ccc(-c2cc(-c3cccc(-c4c(-n5c6cccc(-c7ccccc7)c6c6c(-c7ccccc7)cccc65)cnc(-n5c6cccc(-c7ccccc7)c6c6c(-c7ccccc7)cccc65)c4-n4c5cccc(-c6ccccc6)c5c5c(-c6ccccc6)cccc54)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole?

The InChIKey is ZKMJAPDOHYSVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H64N6/c1-9-32-65(33-10-1)75-50-26-56-83-91(75)92-76(66-34-11-2-12-35-66)51-27-57-84(92)103(83)89-64-100-99(105-87-60-30-54-79(69-40-17-5-18-41-69)95(87)96-80(55-31-61-88(96)105)70-42-19-6-20-43-70)97(90(89)74-49-25-48-73(62-74)82-63-81(71-44-21-7-22-45-71)101-98(102-82)72-46-23-8-24-47-72)104-85-58-28-52-77(67-36-13-3-14-37-67)93(85)94-78(53-29-59-86(94)104)68-38-15-4-16-39-68/h1-64H.

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

9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole has a molecular weight of 1337.64 g/mol, XLogP of 25.83, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,5-bis(4,5-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-4,5-diphenylcarbazole is sourced from PubChem (CID 152665816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).