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

C64H40N6 — CID 171578202

IUPAC9-[4-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)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(-c3cccc4c3c3ccccc3n4-c3ccccc3)cccc2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C64H40N6/c1-2-20-41(21-3-1)67-58-37-17-10-28-50(58)62-48(29-18-38-59(62)67)49-30-19-39-60(68-52-31-11-4-22-42(52)43-23-5-12-32-53(43)68)63(49)51-40-61(69-54-33-13-6-24-44(54)45-25-7-14-34-55(45)69)66-64(65-51)70-56-35-15-8-26-46(56)47-27-9-16-36-57(47)70/h1-40H/i6D,8D,13D,15D,24D,26D,33D,35D
InChIKeyQNLBAQDGJYTVOI-MUJLQPQZSA-N
MW901.11 g/mol
LogP16.20
Rot. Bonds6

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

9-[4-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole (PubChem CID 171578202) 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-(9-phenylcarbazol-4-yl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole.

Molecular Properties

Compound Name9-[4-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole
PubChem CID171578202
Molecular FormulaC64H40N6
Molecular Weight901.11 g/mol
Exact Mass900.38
IUPAC Name9-[4-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)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(-c3cccc4c3c3ccccc3n4-c3ccccc3)cccc2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C64H40N6/c1-2-20-41(21-3-1)67-58-37-17-10-28-50(58)62-48(29-18-38-59(62)67)49-30-19-39-60(68-52-31-11-4-22-42(52)43-23-5-12-32-53(43)68)63(49)51-40-61(69-54-33-13-6-24-44(54)45-25-7-14-34-55(45)69)66-64(65-51)70-56-35-15-8-26-46(56)47-27-9-16-36-57(47)70/h1-40H/i6D,8D,13D,15D,24D,26D,33D,35D
InChIKeyQNLBAQDGJYTVOI-MUJLQPQZSA-N
XLogP16.20
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.11
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
9-[2-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzothiophen-1-ylphenyl)pyrimidin-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578238
9-[4-(2-carbazol-9-yl-6-dibenzofuran-1-ylphenyl)-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole
CID 171578719
9-[2-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-1-ylphenyl)pyrimidin-4-yl]-1,2,3,4-tetradeuteriocarbazole
CID 171578622
3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 171578191
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
9-[2-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)pyrimidin-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578640
9-[4-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578279
9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
CID 171578181
9-[2-(2-carbazol-9-yl-6-dibenzofuran-3-ylphenyl)-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-4-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
CID 171578359
9-[4-(2-carbazol-9-yl-6-dibenzothiophen-1-ylphenyl)-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4-tetradeuteriocarbazole
CID 171578172

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)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-(9-phenylcarbazol-4-yl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole (CID 171578202) is 9-[4-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)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-(9-phenylcarbazol-4-yl)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-(9-phenylcarbazol-4-yl)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(-c3cccc4c3c3ccccc3n4-c3ccccc3)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-(9-phenylcarbazol-4-yl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole?
The InChIKey is QNLBAQDGJYTVOI-MUJLQPQZSA-N. The full InChI is InChI=1S/C64H40N6/c1-2-20-41(21-3-1)67-58-37-17-10-28-50(58)62-48(29-18-38-59(62)67)49-30-19-39-60(68-52-31-11-4-22-42(52)43-23-5-12-32-53(43)68)63(49)51-40-61(69-54-33-13-6-24-44(54)45-25-7-14-34-55(45)69)66-64(65-51)70-56-35-15-8-26-46(56)47-27-9-16-36-57(47)70/h1-40H/i6D,8D,13D,15D,24D,26D,33D,35D.
What are the key properties of 9-[4-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole?
9-[4-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)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-(9-phenylcarbazol-4-yl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole is sourced from PubChem (CID 171578202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).