3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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

C89H55N11 — CID 134482087

IUPAC3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7cc(-c8ccccc8)nc(-c8ccccn8)c7)nc(-n7c8ccccc8c8ccccc87)n6)ccc54)n3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C89H55N11/c1-4-24-56(25-5-1)72-50-61(51-73(91-72)57-26-6-2-7-27-57)75-54-86(97-78-37-16-10-30-63(78)64-31-11-17-38-79(64)97)95-89(93-75)100-83-42-21-15-35-68(83)70-49-60(44-46-85(70)100)59-43-45-84-69(48-59)67-34-14-18-39-80(67)98(84)87-55-76(94-88(96-87)99-81-40-19-12-32-65(81)66-33-13-20-41-82(66)99)62-52-74(58-28-8-3-9-29-58)92-77(53-62)71-36-22-23-47-90-71/h1-55H
InChIKeyLEBFRKWFIIOYEK-UHFFFAOYSA-N
MW1278.50 g/mol
LogP21.51
Rot. Bonds11

About 3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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-(2,6-diphenyl-4-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 134482087) has the molecular formula C89H55N11 and a molecular weight of 1278.50 g/mol. Its IUPAC name is 3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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-(2,6-diphenyl-4-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 CID134482087
Molecular FormulaC89H55N11
Molecular Weight1278.50 g/mol
Exact Mass1277.46
IUPAC Name3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7cc(-c8ccccc8)nc(-c8ccccn8)c7)nc(-n7c8ccccc8c8ccccc87)n6)ccc54)n3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C89H55N11/c1-4-24-56(25-5-1)72-50-61(51-73(91-72)57-26-6-2-7-27-57)75-54-86(97-78-37-16-10-30-63(78)64-31-11-17-38-79(64)97)95-89(93-75)100-83-42-21-15-35-68(83)70-49-60(44-46-85(70)100)59-43-45-84-69(48-59)67-34-14-18-39-80(67)98(84)87-55-76(94-88(96-87)99-81-40-19-12-32-65(81)66-33-13-20-41-82(66)99)62-52-74(58-28-8-3-9-29-58)92-77(53-62)71-36-22-23-47-90-71/h1-55H
InChIKeyLEBFRKWFIIOYEK-UHFFFAOYSA-N
XLogP21.51
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.50
LogP ≤ 521.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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-(2,6-diphenyl-4-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-(2,6-diphenyl-4-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 134482087) is 3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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-(2,6-diphenyl-4-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-(2,6-diphenyl-4-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(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7cc(-c8ccccc8)nc(-c8ccccn8)c7)nc(-n7c8ccccc8c8ccccc87)n6)ccc54)n3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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 LEBFRKWFIIOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H55N11/c1-4-24-56(25-5-1)72-50-61(51-73(91-72)57-26-6-2-7-27-57)75-54-86(97-78-37-16-10-30-63(78)64-31-11-17-38-79(64)97)95-89(93-75)100-83-42-21-15-35-68(83)70-49-60(44-46-85(70)100)59-43-45-84-69(48-59)67-34-14-18-39-80(67)98(84)87-55-76(94-88(96-87)99-81-40-19-12-32-65(81)66-33-13-20-41-82(66)99)62-52-74(58-28-8-3-9-29-58)92-77(53-62)71-36-22-23-47-90-71/h1-55H.
What are the key properties of 3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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-(2,6-diphenyl-4-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 1278.50 g/mol, XLogP of 21.51, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-carbazol-9-yl-6-(2,6-diphenyl-4-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 134482087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).