4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

C159H95N9O6 — CID 157452811

IUPAC4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5c(-c6cccc7c6oc6ccccc67)cccc5c5oc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6cc(-c7cccc8c7oc7ccccc78)ccc6c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6c(-c7cccc8c7oc7ccccc78)cccc6c6oc7ccccc7c56)cc4)n3)cc2)cc1
InChIInChI=1S/2C55H33N3O2.C49H29N3O2/c1-3-13-34(14-4-1)35-25-27-37(28-26-35)47-33-46(36-15-5-2-6-16-36)56-55(57-47)39-31-29-38(30-32-39)51-50-44-18-8-10-24-49(44)60-54(50)45-22-11-19-41(52(45)58-51)43-21-12-20-42-40-17-7-9-23-48(40)59-53(42)43;1-3-12-34(13-4-1)35-22-24-36(25-23-35)46-33-47(58-55(57-46)39-14-5-2-6-15-39)37-26-28-38(29-27-37)52-51-45-17-8-10-21-50(45)60-54(51)44-31-30-40(32-48(44)56-52)41-18-11-19-43-42-16-7-9-20-49(42)59-53(41)43;1-3-13-30(14-4-1)40-29-41(31-15-5-2-6-16-31)51-49(50-40)33-27-25-32(26-28-33)45-44-38-18-8-10-24-43(38)54-48(44)39-22-11-19-35(46(39)52-45)37-21-12-20-36-34-17-7-9-23-42(34)53-47(36)37/h2*1-33H;1-29H
InChIKeyBSZMOGDEEXRRND-UHFFFAOYSA-N
MW2227.57 g/mol
LogP42.81
Rot. Bonds17

About 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 157452811) has the molecular formula C159H95N9O6 and a molecular weight of 2227.57 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID157452811
Molecular FormulaC159H95N9O6
Molecular Weight2227.57 g/mol
Exact Mass2225.74
IUPAC Name4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5c(-c6cccc7c6oc6ccccc67)cccc5c5oc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6cc(-c7cccc8c7oc7ccccc78)ccc6c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6c(-c7cccc8c7oc7ccccc78)cccc6c6oc7ccccc7c56)cc4)n3)cc2)cc1
InChIInChI=1S/2C55H33N3O2.C49H29N3O2/c1-3-13-34(14-4-1)35-25-27-37(28-26-35)47-33-46(36-15-5-2-6-16-36)56-55(57-47)39-31-29-38(30-32-39)51-50-44-18-8-10-24-49(44)60-54(50)45-22-11-19-41(52(45)58-51)43-21-12-20-42-40-17-7-9-23-48(40)59-53(42)43;1-3-12-34(13-4-1)35-22-24-36(25-23-35)46-33-47(58-55(57-46)39-14-5-2-6-15-39)37-26-28-38(29-27-37)52-51-45-17-8-10-21-50(45)60-54(51)44-31-30-40(32-48(44)56-52)41-18-11-19-43-42-16-7-9-20-49(42)59-53(41)43;1-3-13-30(14-4-1)40-29-41(31-15-5-2-6-16-31)51-49(50-40)33-27-25-32(26-28-33)45-44-38-18-8-10-24-43(38)54-48(44)39-22-11-19-35(46(39)52-45)37-21-12-20-36-34-17-7-9-23-42(34)53-47(36)37/h2*1-33H;1-29H
InChIKeyBSZMOGDEEXRRND-UHFFFAOYSA-N
XLogP42.81
TPSA194.85 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002227.57
LogP ≤ 542.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 157452811) is 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5c(-c6cccc7c6oc6ccccc67)cccc5c5oc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6cc(-c7cccc8c7oc7ccccc78)ccc6c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6c(-c7cccc8c7oc7ccccc78)cccc6c6oc7ccccc7c56)cc4)n3)cc2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is BSZMOGDEEXRRND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H33N3O2.C49H29N3O2/c1-3-13-34(14-4-1)35-25-27-37(28-26-35)47-33-46(36-15-5-2-6-16-36)56-55(57-47)39-31-29-38(30-32-39)51-50-44-18-8-10-24-49(44)60-54(50)45-22-11-19-41(52(45)58-51)43-21-12-20-42-40-17-7-9-23-48(40)59-53(42)43;1-3-12-34(13-4-1)35-22-24-36(25-23-35)46-33-47(58-55(57-46)39-14-5-2-6-15-39)37-26-28-38(29-27-37)52-51-45-17-8-10-21-50(45)60-54(51)44-31-30-40(32-48(44)56-52)41-18-11-19-43-42-16-7-9-20-49(42)59-53(41)43;1-3-13-30(14-4-1)40-29-41(31-15-5-2-6-16-31)51-49(50-40)33-27-25-32(26-28-33)45-44-38-18-8-10-24-43(38)54-48(44)39-22-11-19-35(46(39)52-45)37-21-12-20-36-34-17-7-9-23-42(34)53-47(36)37/h2*1-33H;1-29H.
What are the key properties of 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 2227.57 g/mol, XLogP of 42.81, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline;3-dibenzofuran-4-yl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 157452811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).