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

C65H41N5 — CID 171578503

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

9-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (PubChem CID 171578503) has the molecular formula C65H41N5 and a molecular weight of 900.13 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

Molecular Properties

• Compound Name: 9-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
• PubChem CID: 171578503
• Molecular Formula: C65H41N5
• Molecular Weight: 900.13 g/mol
• Exact Mass: 899.39
• IUPAC Name: 9-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-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(-c2c(-c3cccc4c3c3ccccc3n4-c3ccccc3)cccc2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C65H41N5/c1-2-20-42(21-3-1)67-60-37-17-10-28-52(60)64-50(29-18-38-61(64)67)51-30-19-39-62(69-56-33-13-6-24-46(56)47-25-7-14-34-57(47)69)65(51)53-40-43(68-54-31-11-4-22-44(54)45-23-5-12-32-55(45)68)41-63(66-53)70-58-35-15-8-26-48(58)49-27-9-16-36-59(49)70/h1-41H/i4D,5D,11D,12D,22D,23D,31D,32D
• InChIKey: KYPLJRLVNFMVPA-VJGTVZIESA-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-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?

The IUPAC name of 9-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (CID 171578503) is 9-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

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

The canonical SMILES for 9-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-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(-c2c(-c3cccc4c3c3ccccc3n4-c3ccccc3)cccc2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1.

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

The InChIKey is KYPLJRLVNFMVPA-VJGTVZIESA-N. The full InChI is InChI=1S/C65H41N5/c1-2-20-42(21-3-1)67-60-37-17-10-28-52(60)64-50(29-18-38-61(64)67)51-30-19-39-62(69-56-33-13-6-24-46(56)47-25-7-14-34-57(47)69)65(51)53-40-43(68-54-31-11-4-22-44(54)45-23-5-12-32-55(45)68)41-63(66-53)70-58-35-15-8-26-48(58)49-27-9-16-36-59(49)70/h1-41H/i4D,5D,11D,12D,22D,23D,31D,32D.

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

9-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-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-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is sourced from PubChem (CID 171578503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).