4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine

C102H60N6O4 — CID 130270280

IUPAC4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4cc(-c6ccc7c(c6)oc6cc(-c8cc(-c9ccc%10c(c9)oc9ccccc9%10)cc(-c9cc(-c%10ccccc%10-c%10cccnc%10)nc(-c%10ccccc%10)n9)c8)ccc67)ccc45)c3)n2)cc1
InChIInChI=1S/C102H60N6O4/c1-3-16-61(17-4-1)101-105-89(70-21-13-20-63(44-70)71-22-14-42-103-59-71)57-90(106-101)77-47-73(66-32-38-83-81-26-9-11-28-93(81)109-95(83)53-66)45-74(48-77)68-34-40-87-85-36-30-64(51-97(85)111-99(87)55-68)65-31-37-86-88-41-35-69(56-100(88)112-98(86)52-65)76-46-75(67-33-39-84-82-27-10-12-29-94(82)110-96(84)54-67)49-78(50-76)91-58-92(108-102(107-91)62-18-5-2-6-19-62)80-25-8-7-24-79(80)72-23-15-43-104-60-72/h1-60H
InChIKeyCGLZDFITBWZMAB-UHFFFAOYSA-N
MW1433.64 g/mol
LogP27.33
Rot. Bonds13

About 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine

4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130270280) has the molecular formula C102H60N6O4 and a molecular weight of 1433.64 g/mol. Its IUPAC name is 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID130270280
Molecular FormulaC102H60N6O4
Molecular Weight1433.64 g/mol
Exact Mass1432.47
IUPAC Name4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4cc(-c6ccc7c(c6)oc6cc(-c8cc(-c9ccc%10c(c9)oc9ccccc9%10)cc(-c9cc(-c%10ccccc%10-c%10cccnc%10)nc(-c%10ccccc%10)n9)c8)ccc67)ccc45)c3)n2)cc1
InChIInChI=1S/C102H60N6O4/c1-3-16-61(17-4-1)101-105-89(70-21-13-20-63(44-70)71-22-14-42-103-59-71)57-90(106-101)77-47-73(66-32-38-83-81-26-9-11-28-93(81)109-95(83)53-66)45-74(48-77)68-34-40-87-85-36-30-64(51-97(85)111-99(87)55-68)65-31-37-86-88-41-35-69(56-100(88)112-98(86)52-65)76-46-75(67-33-39-84-82-27-10-12-29-94(82)110-96(84)54-67)49-78(50-76)91-58-92(108-102(107-91)62-18-5-2-6-19-62)80-25-8-7-24-79(80)72-23-15-43-104-60-72/h1-60H
InChIKeyCGLZDFITBWZMAB-UHFFFAOYSA-N
XLogP27.33
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001433.64
LogP ≤ 527.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 130270280) is 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4cc(-c6ccc7c(c6)oc6cc(-c8cc(-c9ccc%10c(c9)oc9ccccc9%10)cc(-c9cc(-c%10ccccc%10-c%10cccnc%10)nc(-c%10ccccc%10)n9)c8)ccc67)ccc45)c3)n2)cc1.
What is the InChIKey of 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is CGLZDFITBWZMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N6O4/c1-3-16-61(17-4-1)101-105-89(70-21-13-20-63(44-70)71-22-14-42-103-59-71)57-90(106-101)77-47-73(66-32-38-83-81-26-9-11-28-93(81)109-95(83)53-66)45-74(48-77)68-34-40-87-85-36-30-64(51-97(85)111-99(87)55-68)65-31-37-86-88-41-35-69(56-100(88)112-98(86)52-65)76-46-75(67-33-39-84-82-27-10-12-29-94(82)110-96(84)54-67)49-78(50-76)91-58-92(108-102(107-91)62-18-5-2-6-19-62)80-25-8-7-24-79(80)72-23-15-43-104-60-72/h1-60H.
What are the key properties of 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 1433.64 g/mol, XLogP of 27.33, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-dibenzofuran-3-yl-5-[7-[7-[3-dibenzofuran-3-yl-5-[2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130270280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).