4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline

C212H128N12O4 — CID 158087363

IUPAC4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3ccc(-c5cc6ccccc6c6ccccc56)cc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccc(-c6cc7ccccc7c7ccccc67)cc4)c4c6ccccc6oc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5oc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6oc54)n3)cc2)cc1
InChIInChI=1S/C57H35N3O.C55H33N3O.C51H31N3O.C49H29N3O/c1-3-13-38(14-4-1)50-35-51(39-15-5-2-6-16-39)60-57(59-50)41-29-23-36(24-30-41)42-31-32-47-52(34-42)58-55(54-48-21-11-12-22-53(48)61-56(47)54)40-27-25-37(26-28-40)49-33-43-17-7-8-18-44(43)45-19-9-10-20-46(45)49;1-3-13-34(14-4-1)35-23-25-37(26-24-35)49-33-48(36-15-5-2-6-16-36)57-55(58-49)39-28-30-45-50(32-39)56-53(52-46-21-11-12-22-51(46)59-54(45)52)38-27-29-44-42-19-8-7-17-40(42)41-18-9-10-20-43(41)47(44)31-38;1-3-14-33(15-4-1)44-31-45(53-51(52-44)35-16-5-2-6-17-35)40-23-13-24-42-49(40)54-48(47-41-22-11-12-25-46(41)55-50(42)47)34-28-26-32(27-29-34)43-30-36-18-7-8-19-37(36)38-20-9-10-21-39(38)43;1-3-13-30(14-4-1)42-29-43(31-15-5-2-6-16-31)52-49(51-42)33-24-26-39-44(28-33)50-47(46-40-21-11-12-22-45(40)53-48(39)46)32-23-25-38-36-19-8-7-17-34(36)35-18-9-10-20-37(35)41(38)27-32/h1-35H;1-33H;1-31H;1-29H
InChIKeyFNRFPCFGYAHOGP-UHFFFAOYSA-N
MW2907.44 g/mol
LogP56.57
Rot. Bonds20

About 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline

4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline (PubChem CID 158087363) has the molecular formula C212H128N12O4 and a molecular weight of 2907.44 g/mol. Its IUPAC name is 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
PubChem CID158087363
Molecular FormulaC212H128N12O4
Molecular Weight2907.44 g/mol
Exact Mass2905.02
IUPAC Name4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3ccc(-c5cc6ccccc6c6ccccc56)cc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccc(-c6cc7ccccc7c7ccccc67)cc4)c4c6ccccc6oc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5oc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6oc54)n3)cc2)cc1
InChIInChI=1S/C57H35N3O.C55H33N3O.C51H31N3O.C49H29N3O/c1-3-13-38(14-4-1)50-35-51(39-15-5-2-6-16-39)60-57(59-50)41-29-23-36(24-30-41)42-31-32-47-52(34-42)58-55(54-48-21-11-12-22-53(48)61-56(47)54)40-27-25-37(26-28-40)49-33-43-17-7-8-18-44(43)45-19-9-10-20-46(45)49;1-3-13-34(14-4-1)35-23-25-37(26-24-35)49-33-48(36-15-5-2-6-16-36)57-55(58-49)39-28-30-45-50(32-39)56-53(52-46-21-11-12-22-51(46)59-54(45)52)38-27-29-44-42-19-8-7-17-40(42)41-18-9-10-20-43(41)47(44)31-38;1-3-14-33(15-4-1)44-31-45(53-51(52-44)35-16-5-2-6-17-35)40-23-13-24-42-49(40)54-48(47-41-22-11-12-25-46(41)55-50(42)47)34-28-26-32(27-29-34)43-30-36-18-7-8-19-37(36)38-20-9-10-21-39(38)43;1-3-13-30(14-4-1)42-29-43(31-15-5-2-6-16-31)52-49(51-42)33-24-26-39-44(28-33)50-47(46-40-21-11-12-22-45(40)53-48(39)46)32-23-25-38-36-19-8-7-17-34(36)35-18-9-10-20-37(35)41(38)27-32/h1-35H;1-33H;1-31H;1-29H
InChIKeyFNRFPCFGYAHOGP-UHFFFAOYSA-N
XLogP56.57
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002907.44
LogP ≤ 556.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline with MolForge

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Related Compounds

2-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline;4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline
CID 160689501
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 161214139
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158287308
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
6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline
CID 158287309
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 157112850
4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
CID 158431383
4-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 159819901
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158448378
3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158159286
1-phenanthren-9-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159384571
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158226926

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline (CID 158087363) is 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc(-c5cc6ccccc6c6ccccc56)cc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccc(-c6cc7ccccc7c7ccccc67)cc4)c4c6ccccc6oc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5oc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6oc54)n3)cc2)cc1.
What is the InChIKey of 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is FNRFPCFGYAHOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O.C55H33N3O.C51H31N3O.C49H29N3O/c1-3-13-38(14-4-1)50-35-51(39-15-5-2-6-16-39)60-57(59-50)41-29-23-36(24-30-41)42-31-32-47-52(34-42)58-55(54-48-21-11-12-22-53(48)61-56(47)54)40-27-25-37(26-28-40)49-33-43-17-7-8-18-44(43)45-19-9-10-20-46(45)49;1-3-13-34(14-4-1)35-23-25-37(26-24-35)49-33-48(36-15-5-2-6-16-36)57-55(58-49)39-28-30-45-50(32-39)56-53(52-46-21-11-12-22-51(46)59-54(45)52)38-27-29-44-42-19-8-7-17-40(42)41-18-9-10-20-43(41)47(44)31-38;1-3-14-33(15-4-1)44-31-45(53-51(52-44)35-16-5-2-6-17-35)40-23-13-24-42-49(40)54-48(47-41-22-11-12-25-46(41)55-50(42)47)34-28-26-32(27-29-34)43-30-36-18-7-8-19-37(36)38-20-9-10-21-39(38)43;1-3-13-30(14-4-1)42-29-43(31-15-5-2-6-16-31)52-49(51-42)33-24-26-39-44(28-33)50-47(46-40-21-11-12-22-45(40)53-48(39)46)32-23-25-38-36-19-8-7-17-34(36)35-18-9-10-20-37(35)41(38)27-32/h1-35H;1-33H;1-31H;1-29H.
What are the key properties of 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline?
4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 2907.44 g/mol, XLogP of 56.57, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 158087363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).