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

C75H49N5 — CID 151530880

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

9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole (PubChem CID 151530880) has the molecular formula C75H49N5 and a molecular weight of 1020.25 g/mol. Its IUPAC name is 9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole
• PubChem CID: 151530880
• Molecular Formula: C75H49N5
• Molecular Weight: 1020.25 g/mol
• Exact Mass: 1019.40
• IUPAC Name: 9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1
• InChI: InChI=1S/C75H49N5/c1-7-20-50(21-8-1)57-34-38-69-63(43-57)64-44-58(51-22-9-2-10-23-51)35-39-70(64)79(69)73-47-62(56-32-19-33-61(42-56)68-49-67(54-28-15-5-16-29-54)76-75(77-68)55-30-17-6-18-31-55)48-74(78-73)80-71-40-36-59(52-24-11-3-12-25-52)45-65(71)66-46-60(37-41-72(66)80)53-26-13-4-14-27-53/h1-49H
• InChIKey: PWLAOIPAXQNVTI-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.25
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole (CID 151530880) is 9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole.

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

The canonical SMILES for 9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1.

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

The InChIKey is PWLAOIPAXQNVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N5/c1-7-20-50(21-8-1)57-34-38-69-63(43-57)64-44-58(51-22-9-2-10-23-51)35-39-70(64)79(69)73-47-62(56-32-19-33-61(42-56)68-49-67(54-28-15-5-16-29-54)76-75(77-68)55-30-17-6-18-31-55)48-74(78-73)80-71-40-36-59(52-24-11-3-12-25-52)45-65(71)66-46-60(37-41-72(66)80)53-26-13-4-14-27-53/h1-49H.

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

9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole has a molecular weight of 1020.25 g/mol, XLogP of 19.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 151530880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).