9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole

C79H51N7 — CID 137369326

About 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole

9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole (PubChem CID 137369326) has the molecular formula C79H51N7 and a molecular weight of 1098.33 g/mol. Its IUPAC name is 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole
• PubChem CID: 137369326
• Molecular Formula: C79H51N7
• Molecular Weight: 1098.33 g/mol
• Exact Mass: 1097.42
• IUPAC Name: 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1
• InChI: InChI=1S/C79H51N7/c1-7-24-52(25-8-1)58-42-44-74-63(46-58)61-36-19-21-40-72(61)85(74)76-49-60(70-50-68(54-28-11-3-12-29-54)81-78(83-70)56-32-15-5-16-33-56)48-65(71-51-69(55-30-13-4-14-31-55)82-79(84-71)57-34-17-6-18-35-57)77(76)86-73-41-22-20-37-62(73)64-47-59(43-45-75(64)86)67-39-23-38-66(80-67)53-26-9-2-10-27-53/h1-51H
• InChIKey: BJNCVEZYSVQGAO-UHFFFAOYSA-N
• XLogP: 19.86
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1098.33
LogP ≤ 5	19.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole (CID 137369326) is 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1.

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

The InChIKey is BJNCVEZYSVQGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H51N7/c1-7-24-52(25-8-1)58-42-44-74-63(46-58)61-36-19-21-40-72(61)85(74)76-49-60(70-50-68(54-28-11-3-12-29-54)81-78(83-70)56-32-15-5-16-33-56)48-65(71-51-69(55-30-13-4-14-31-55)82-79(84-71)57-34-17-6-18-35-57)77(76)86-73-41-22-20-37-62(73)64-47-59(43-45-75(64)86)67-39-23-38-66(80-67)53-26-9-2-10-27-53/h1-51H.

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

9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 1098.33 g/mol, XLogP of 19.86, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 137369326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).