2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline

C57H33N5O2 — CID 121340985

IUPAC2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5oc6nc7ccccc7cc6c5c4)cc(-c4ccc5oc6nc7ccccc7cc6c5c4)c3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C57H33N5O2/c1-2-9-35(10-3-1)51-32-52(60-55(59-51)36-18-16-34(17-19-36)41-13-8-24-58-33-41)44-26-42(37-20-22-53-45(28-37)47-30-39-11-4-6-14-49(39)61-56(47)63-53)25-43(27-44)38-21-23-54-46(29-38)48-31-40-12-5-7-15-50(40)62-57(48)64-54/h1-33H
InChIKeyHZNRUAOBVITDNN-UHFFFAOYSA-N
MW819.92 g/mol
LogP14.77
Rot. Bonds6

About 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline

2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 121340985) has the molecular formula C57H33N5O2 and a molecular weight of 819.92 g/mol. Its IUPAC name is 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
PubChem CID121340985
Molecular FormulaC57H33N5O2
Molecular Weight819.92 g/mol
Exact Mass819.26
IUPAC Name2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5oc6nc7ccccc7cc6c5c4)cc(-c4ccc5oc6nc7ccccc7cc6c5c4)c3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C57H33N5O2/c1-2-9-35(10-3-1)51-32-52(60-55(59-51)36-18-16-34(17-19-36)41-13-8-24-58-33-41)44-26-42(37-20-22-53-45(28-37)47-30-39-11-4-6-14-49(39)61-56(47)63-53)25-43(27-44)38-21-23-54-46(29-38)48-31-40-12-5-7-15-50(40)62-57(48)64-54/h1-33H
InChIKeyHZNRUAOBVITDNN-UHFFFAOYSA-N
XLogP14.77
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.92
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline with MolForge

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Related Compounds

4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-[3,5-bis(naphtho[1,2-b][1]benzofuran-8-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130261875
2-(4-phenylphenyl)-[1]benzofuro[2,3-b]quinoline
CID 159518374
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391
4-[3,5-bis(naphtho[2,3-b][1]benzofuran-2-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263153
2-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)-1,3-diazinan-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
CID 163997815
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931
3-[6-phenyl-2-[3-(3-pyridin-3-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]pyrimidin-4-yl]quinoline
CID 169294630
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
2-[3,5-bis(naphtho[1,2-b][1]benzofuran-8-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263147

Frequently Asked Questions

What is the IUPAC name of 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline (CID 121340985) is 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline is c1ccc(-c2cc(-c3cc(-c4ccc5oc6nc7ccccc7cc6c5c4)cc(-c4ccc5oc6nc7ccccc7cc6c5c4)c3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.
What is the InChIKey of 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The InChIKey is HZNRUAOBVITDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5O2/c1-2-9-35(10-3-1)51-32-52(60-55(59-51)36-18-16-34(17-19-36)41-13-8-24-58-33-41)44-26-42(37-20-22-53-45(28-37)47-30-39-11-4-6-14-49(39)61-56(47)63-53)25-43(27-44)38-21-23-54-46(29-38)48-31-40-12-5-7-15-50(40)62-57(48)64-54/h1-33H.
What are the key properties of 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline?
2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 819.92 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-([1]benzofuro[2,3-b]quinolin-2-yl)-5-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 121340985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).