9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

C65H41N5 — CID 171578216

About 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (PubChem CID 171578216) has the molecular formula C65H41N5 and a molecular weight of 900.13 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
• PubChem CID: 171578216
• Molecular Formula: C65H41N5
• Molecular Weight: 900.13 g/mol
• Exact Mass: 899.39
• IUPAC Name: 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2-n2c3ccccc3c3ccccc32)n1
• InChI: InChI=1S/C65H41N5/c1-9-27-55-46(18-1)47-19-2-10-28-56(47)67(55)43-38-36-42(37-39-43)45-26-17-35-63(69-59-31-13-5-22-50(59)51-23-6-14-32-60(51)69)65(45)54-40-44(68-57-29-11-3-20-48(57)49-21-4-12-30-58(49)68)41-64(66-54)70-61-33-15-7-24-52(61)53-25-8-16-34-62(53)70/h1-41H/i7D,8D,15D,16D,24D,25D,33D,34D
• InChIKey: MERUETWMQKRKSC-CUYNSFIESA-N
• XLogP: 16.80
• TPSA: 32.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.13
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?

The IUPAC name of 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (CID 171578216) is 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

What is the SMILES notation for 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?

The canonical SMILES for 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2-n2c3ccccc3c3ccccc32)n1.

What is the InChIKey of 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?

The InChIKey is MERUETWMQKRKSC-CUYNSFIESA-N. The full InChI is InChI=1S/C65H41N5/c1-9-27-55-46(18-1)47-19-2-10-28-56(47)67(55)43-38-36-42(37-39-43)45-26-17-35-63(69-59-31-13-5-22-50(59)51-23-6-14-32-60(51)69)65(45)54-40-44(68-57-29-11-3-20-48(57)49-21-4-12-30-58(49)68)41-64(66-54)70-61-33-15-7-24-52(61)53-25-8-16-34-62(53)70/h1-41H/i7D,8D,15D,16D,24D,25D,33D,34D.

What are the key properties of 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?

9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole has a molecular weight of 900.13 g/mol, XLogP of 16.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is sourced from PubChem (CID 171578216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).