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

C75H51N7 — CID 137369276

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

9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole (PubChem CID 137369276) has the molecular formula C75H51N7 and a molecular weight of 1050.28 g/mol. Its IUPAC name is 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

• Compound Name: 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole
• PubChem CID: 137369276
• Molecular Formula: C75H51N7
• Molecular Weight: 1050.28 g/mol
• Exact Mass: 1049.42
• IUPAC Name: 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
• InChI: InChI=1S/C75H51N7/c1-48-35-39-69-58(43-48)59-44-49(2)36-40-70(59)82(69)73-57(74-77-63(51-23-10-4-11-24-51)46-64(78-74)52-25-12-5-13-26-52)38-42-71(72(73)75-79-65(53-27-14-6-15-28-53)47-66(80-75)54-29-16-7-17-30-54)81-67-34-19-18-31-56(67)60-45-55(37-41-68(60)81)62-33-20-32-61(76-62)50-21-8-3-9-22-50/h3-47H,1-2H3
• InChIKey: MKGVIYKMQZDKHN-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1050.28
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole (CID 137369276) is 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole.

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

The canonical SMILES for 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.

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

The InChIKey is MKGVIYKMQZDKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N7/c1-48-35-39-69-58(43-48)59-44-49(2)36-40-70(59)82(69)73-57(74-77-63(51-23-10-4-11-24-51)46-64(78-74)52-25-12-5-13-26-52)38-42-71(72(73)75-79-65(53-27-14-6-15-28-53)47-66(80-75)54-29-16-7-17-30-54)81-67-34-19-18-31-56(67)60-45-55(37-41-68(60)81)62-33-20-32-61(76-62)50-21-8-3-9-22-50/h3-47H,1-2H3.

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

9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 1050.28 g/mol, XLogP of 18.81, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 137369276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).