9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole

C64H40N6 — CID 171578630

About 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole

9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole (PubChem CID 171578630) has the molecular formula C64H40N6 and a molecular weight of 901.11 g/mol. Its IUPAC name is 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole.

Molecular Properties

• Compound Name: 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole
• PubChem CID: 171578630
• Molecular Formula: C64H40N6
• Molecular Weight: 901.11 g/mol
• Exact Mass: 900.38
• IUPAC Name: 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1cc(-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cccc2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3c([2H])c([2H])c([2H])c([2H])c32)n1
• InChI: InChI=1S/C64H40N6/c1-9-30-53-44(21-1)45-22-2-10-31-54(45)67(53)42-20-17-19-41(39-42)43-29-18-38-61(68-55-32-11-3-23-46(55)47-24-4-12-33-56(47)68)63(43)52-40-62(69-57-34-13-5-25-48(57)49-26-6-14-35-58(49)69)66-64(65-52)70-59-36-15-7-27-50(59)51-28-8-16-37-60(51)70/h1-40H/i5D,7D,13D,15D,25D,27D,34D,36D
• InChIKey: QJOBPPQXPJLNMZ-WCPFMWFZSA-N
• XLogP: 16.20
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.11
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole?

The IUPAC name of 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole (CID 171578630) is 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole.

What is the SMILES notation for 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole?

The canonical SMILES for 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1cc(-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cccc2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3c([2H])c([2H])c([2H])c([2H])c32)n1.

What is the InChIKey of 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole?

The InChIKey is QJOBPPQXPJLNMZ-WCPFMWFZSA-N. The full InChI is InChI=1S/C64H40N6/c1-9-30-53-44(21-1)45-22-2-10-31-54(45)67(53)42-20-17-19-41(39-42)43-29-18-38-61(68-55-32-11-3-23-46(55)47-24-4-12-33-56(47)68)63(43)52-40-62(69-57-34-13-5-25-48(57)49-26-6-14-35-58(49)69)66-64(65-52)70-59-36-15-7-27-50(59)51-28-8-16-37-60(51)70/h1-40H/i5D,7D,13D,15D,25D,27D,34D,36D.

What are the key properties of 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole?

9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole has a molecular weight of 901.11 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole is sourced from PubChem (CID 171578630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).