bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline

C140H84N6O5 — CID 163420257

IUPACbis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C52H32N2O.2C44H26N2O2/c1-2-12-35(13-3-1)47-31-39(33-22-24-34(25-23-33)45-30-38-14-4-5-15-40(38)41-16-6-7-17-42(41)45)32-48(53-47)36-26-28-37(29-27-36)51-52-50(43-18-8-10-20-46(43)54-51)44-19-9-11-21-49(44)55-52;2*1-2-11-27(12-3-1)37-25-30(31-16-10-17-33-32-13-5-8-19-39(32)47-43(31)33)26-38(45-37)28-21-23-29(24-22-28)42-44-41(34-14-4-7-18-36(34)46-42)35-15-6-9-20-40(35)48-44/h1-32H;2*1-26H
InChIKeyAHWAJMNONBVNQB-UHFFFAOYSA-N
MW1930.25 g/mol
LogP38.36
Rot. Bonds13

About bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline

bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 163420257) has the molecular formula C140H84N6O5 and a molecular weight of 1930.25 g/mol. Its IUPAC name is bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Namebis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline
PubChem CID163420257
Molecular FormulaC140H84N6O5
Molecular Weight1930.25 g/mol
Exact Mass1928.65
IUPAC Namebis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C52H32N2O.2C44H26N2O2/c1-2-12-35(13-3-1)47-31-39(33-22-24-34(25-23-33)45-30-38-14-4-5-15-40(38)41-16-6-7-17-42(41)45)32-48(53-47)36-26-28-37(29-27-36)51-52-50(43-18-8-10-20-46(43)54-51)44-19-9-11-21-49(44)55-52;2*1-2-11-27(12-3-1)37-25-30(31-16-10-17-33-32-13-5-8-19-39(32)47-43(31)33)26-38(45-37)28-21-23-29(24-22-28)42-44-41(34-14-4-7-18-36(34)46-42)35-15-6-9-20-40(35)48-44/h1-32H;2*1-26H
InChIKeyAHWAJMNONBVNQB-UHFFFAOYSA-N
XLogP38.36
TPSA143.04 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.25
LogP ≤ 538.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline with MolForge

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Related Compounds

6-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676
1-phenanthren-9-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159384571
14-[4-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123282
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085978
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
3-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline
CID 149194978
3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158159286
5-[4-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009962
6-[4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 155019029
2-[3-[4-[2-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246323
6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline
CID 157187607

Frequently Asked Questions

What is the IUPAC name of bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline (CID 163420257) is bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1.
What is the InChIKey of bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The InChIKey is AHWAJMNONBVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O.2C44H26N2O2/c1-2-12-35(13-3-1)47-31-39(33-22-24-34(25-23-33)45-30-38-14-4-5-15-40(38)41-16-6-7-17-42(41)45)32-48(53-47)36-26-28-37(29-27-36)51-52-50(43-18-8-10-20-46(43)54-51)44-19-9-11-21-49(44)55-52;2*1-2-11-27(12-3-1)37-25-30(31-16-10-17-33-32-13-5-8-19-39(32)47-43(31)33)26-38(45-37)28-21-23-29(24-22-28)42-44-41(34-14-4-7-18-36(34)46-42)35-15-6-9-20-40(35)48-44/h1-32H;2*1-26H.
What are the key properties of bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline has a molecular weight of 1930.25 g/mol, XLogP of 38.36, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[4-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline);6-[4-[4-(4-phenanthren-9-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 163420257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).