bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine

C78H66N6O4 — CID 167695001

IUPACbis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
SMILESCC(C)c1ccc(-c2cccc3c2oc2cccnc23)nc1.CC(C)c1ccc(-c2cccc3c2oc2ccncc23)nc1.CC(C)c1ccc(-c2cncc3c2oc2ccccc23)cc1.CC(C)c1ccc(-c2cncc3c2oc2ccccc23)cc1
InChIInChI=1S/2C20H17NO.2C19H16N2O/c2*1-13(2)14-7-9-15(10-8-14)17-11-21-12-18-16-5-3-4-6-19(16)22-20(17)18;1-12(2)13-8-9-16(21-11-13)14-5-3-6-15-18-17(22-19(14)15)7-4-10-20-18;1-12(2)13-6-7-17(21-10-13)15-5-3-4-14-16-11-20-9-8-18(16)22-19(14)15/h2*3-13H,1-2H3;2*3-12H,1-2H3
InChIKeyXNCNVJMDHGTLSP-UHFFFAOYSA-N
MW1151.42 g/mol
LogP21.88
Rot. Bonds8

About bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine

bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 167695001) has the molecular formula C78H66N6O4 and a molecular weight of 1151.42 g/mol. Its IUPAC name is bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Namebis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
PubChem CID167695001
Molecular FormulaC78H66N6O4
Molecular Weight1151.42 g/mol
Exact Mass1150.51
IUPAC Namebis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
SMILESCC(C)c1ccc(-c2cccc3c2oc2cccnc23)nc1.CC(C)c1ccc(-c2cccc3c2oc2ccncc23)nc1.CC(C)c1ccc(-c2cncc3c2oc2ccccc23)cc1.CC(C)c1ccc(-c2cncc3c2oc2ccccc23)cc1
InChIInChI=1S/2C20H17NO.2C19H16N2O/c2*1-13(2)14-7-9-15(10-8-14)17-11-21-12-18-16-5-3-4-6-19(16)22-20(17)18;1-12(2)13-8-9-16(21-11-13)14-5-3-6-15-18-17(22-19(14)15)7-4-10-20-18;1-12(2)13-6-7-17(21-10-13)15-5-3-4-14-16-11-20-9-8-18(16)22-19(14)15/h2*3-13H,1-2H3;2*3-12H,1-2H3
InChIKeyXNCNVJMDHGTLSP-UHFFFAOYSA-N
XLogP21.88
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.42
LogP ≤ 521.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 157380609
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
4-(4-ethylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-ethylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-ethylphenyl)-[1]benzofuro[3,2-c]pyridine;6-(4-ethylphenyl)-[1]benzofuro[3,2-c]pyridine;8-(4-ethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 158435585
2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine
CID 176637472
4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140758
6-(5-ethyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140815
trimethyl-[6-(5-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]silane
CID 155608254
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
CID 170047501
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine (CID 167695001) is bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine is CC(C)c1ccc(-c2cccc3c2oc2cccnc23)nc1.CC(C)c1ccc(-c2cccc3c2oc2ccncc23)nc1.CC(C)c1ccc(-c2cncc3c2oc2ccccc23)cc1.CC(C)c1ccc(-c2cncc3c2oc2ccccc23)cc1.
What is the InChIKey of bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is XNCNVJMDHGTLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17NO.2C19H16N2O/c2*1-13(2)14-7-9-15(10-8-14)17-11-21-12-18-16-5-3-4-6-19(16)22-20(17)18;1-12(2)13-8-9-16(21-11-13)14-5-3-6-15-18-17(22-19(14)15)7-4-10-20-18;1-12(2)13-6-7-17(21-10-13)15-5-3-4-14-16-11-20-9-8-18(16)22-19(14)15/h2*3-13H,1-2H3;2*3-12H,1-2H3.
What are the key properties of bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 1151.42 g/mol, XLogP of 21.88, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 167695001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).