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

C139H85N9O3 — CID 160689501

IUPAC2-(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
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5c6ccccc6oc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc(-c5cccc6ccccc56)cc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3cc5ccccc5c5ccccc35)c3c5ccccc5oc43)n2)cc1
InChIInChI=1S/2C47H29N3O.C45H27N3O/c1-3-14-32(15-4-1)40-29-41(49-47(48-40)34-16-5-2-6-17-34)37-22-12-23-39-45(37)50-44(43-38-20-9-10-24-42(38)51-46(39)43)33-27-25-31(26-28-33)36-21-11-18-30-13-7-8-19-35(30)36;1-3-13-32(14-4-1)41-29-42(50-47(49-41)34-15-5-2-6-16-34)35-26-27-40-39(28-35)46-44(38-19-9-10-21-43(38)51-46)45(48-40)33-24-22-31(23-25-33)37-20-11-17-30-12-7-8-18-36(30)37;1-3-13-28(14-4-1)38-27-39(29-15-5-2-6-16-29)48-45(47-38)31-23-24-35-40(26-31)46-43(42-36-21-11-12-22-41(36)49-44(35)42)37-25-30-17-7-8-18-32(30)33-19-9-10-20-34(33)37/h2*1-29H;1-27H
InChIKeyRPFJQMHUYJDEKD-UHFFFAOYSA-N
MW1929.27 g/mol
LogP36.72
Rot. Bonds14

About 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

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 (PubChem CID 160689501) has the molecular formula C139H85N9O3 and a molecular weight of 1929.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160689501
Molecular FormulaC139H85N9O3
Molecular Weight1929.27 g/mol
Exact Mass1927.68
IUPAC Name2-(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
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5c6ccccc6oc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc(-c5cccc6ccccc56)cc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3cc5ccccc5c5ccccc35)c3c5ccccc5oc43)n2)cc1
InChIInChI=1S/2C47H29N3O.C45H27N3O/c1-3-14-32(15-4-1)40-29-41(49-47(48-40)34-16-5-2-6-17-34)37-22-12-23-39-45(37)50-44(43-38-20-9-10-24-42(38)51-46(39)43)33-27-25-31(26-28-33)36-21-11-18-30-13-7-8-19-35(30)36;1-3-13-32(14-4-1)41-29-42(50-47(49-41)34-15-5-2-6-16-34)35-26-27-40-39(28-35)46-44(38-19-9-10-21-43(38)51-46)45(48-40)33-24-22-31(23-25-33)37-20-11-17-30-12-7-8-18-36(30)37;1-3-13-28(14-4-1)38-27-39(29-15-5-2-6-16-29)48-45(47-38)31-23-24-35-40(26-31)46-43(42-36-21-11-12-22-41(36)49-44(35)42)37-25-30-17-7-8-18-32(30)33-19-9-10-20-34(33)37/h2*1-29H;1-27H
InChIKeyRPFJQMHUYJDEKD-UHFFFAOYSA-N
XLogP36.72
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001929.27
LogP ≤ 536.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
CID 158431383
6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline
CID 158287309
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-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159893353
4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159309562
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158448378
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
3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158159286
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 147586920
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 157112850

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5c6ccccc6oc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc(-c5cccc6ccccc56)cc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3cc5ccccc5c5ccccc35)c3c5ccccc5oc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is RPFJQMHUYJDEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H29N3O.C45H27N3O/c1-3-14-32(15-4-1)40-29-41(49-47(48-40)34-16-5-2-6-17-34)37-22-12-23-39-45(37)50-44(43-38-20-9-10-24-42(38)51-46(39)43)33-27-25-31(26-28-33)36-21-11-18-30-13-7-8-19-35(30)36;1-3-13-32(14-4-1)41-29-42(50-47(49-41)34-15-5-2-6-16-34)35-26-27-40-39(28-35)46-44(38-19-9-10-21-43(38)51-46)45(48-40)33-24-22-31(23-25-33)37-20-11-17-30-12-7-8-18-36(30)37;1-3-13-28(14-4-1)38-27-39(29-15-5-2-6-16-29)48-45(47-38)31-23-24-35-40(26-31)46-43(42-36-21-11-12-22-41(36)49-44(35)42)37-25-30-17-7-8-18-32(30)33-19-9-10-20-34(33)37/h2*1-29H;1-27H.
What are the key properties of 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?
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 has a molecular weight of 1929.27 g/mol, XLogP of 36.72, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160689501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).