3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole

C89H54N12 — CID 138593220

IUPAC3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)nc7)cc(-n7c8ccccc8c8ccccc87)n6)ccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C89H54N12/c1-2-22-55(23-3-1)71-50-59(51-74(92-71)70-32-20-21-47-90-70)73-53-87(96-89(94-73)100-80-38-17-8-28-64(80)65-29-9-18-39-81(65)100)99-79-37-16-10-30-66(79)68-48-56(41-44-83(68)99)57-42-45-84-69(49-57)67-31-11-19-40-82(67)101(84)88-93-72(52-86(95-88)98-77-35-14-6-26-62(77)63-27-7-15-36-78(63)98)58-43-46-85(91-54-58)97-75-33-12-4-24-60(75)61-25-5-13-34-76(61)97/h1-54H
InChIKeyFBBQENMFKMHTFA-UHFFFAOYSA-N
MW1291.50 g/mol
LogP21.27
Rot. Bonds10

About 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole

3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole (PubChem CID 138593220) has the molecular formula C89H54N12 and a molecular weight of 1291.50 g/mol. Its IUPAC name is 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole
PubChem CID138593220
Molecular FormulaC89H54N12
Molecular Weight1291.50 g/mol
Exact Mass1290.46
IUPAC Name3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)nc7)cc(-n7c8ccccc8c8ccccc87)n6)ccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C89H54N12/c1-2-22-55(23-3-1)71-50-59(51-74(92-71)70-32-20-21-47-90-70)73-53-87(96-89(94-73)100-80-38-17-8-28-64(80)65-29-9-18-39-81(65)100)99-79-37-16-10-30-66(79)68-48-56(41-44-83(68)99)57-42-45-84-69(49-57)67-31-11-19-40-82(67)101(84)88-93-72(52-86(95-88)98-77-35-14-6-26-62(77)63-27-7-15-36-78(63)98)58-43-46-85(91-54-58)97-75-33-12-4-24-60(75)61-25-5-13-34-76(61)97/h1-54H
InChIKeyFBBQENMFKMHTFA-UHFFFAOYSA-N
XLogP21.27
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.50
LogP ≤ 521.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole?
The IUPAC name of 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole (CID 138593220) is 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole.
What is the SMILES notation for 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole?
The canonical SMILES for 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole is c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)nc7)cc(-n7c8ccccc8c8ccccc87)n6)ccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole?
The InChIKey is FBBQENMFKMHTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H54N12/c1-2-22-55(23-3-1)71-50-59(51-74(92-71)70-32-20-21-47-90-70)73-53-87(96-89(94-73)100-80-38-17-8-28-64(80)65-29-9-18-39-81(65)100)99-79-37-16-10-30-66(79)68-48-56(41-44-83(68)99)57-42-45-84-69(49-57)67-31-11-19-40-82(67)101(84)88-93-72(52-86(95-88)98-77-35-14-6-26-62(77)63-27-7-15-36-78(63)98)58-43-46-85(91-54-58)97-75-33-12-4-24-60(75)61-25-5-13-34-76(61)97/h1-54H.
What are the key properties of 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole?
3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole has a molecular weight of 1291.50 g/mol, XLogP of 21.27, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazol-3-yl]-9-[2-carbazol-9-yl-6-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)pyrimidin-4-yl]carbazole is sourced from PubChem (CID 138593220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).