4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine

C91H82F2Ir4N5O13-3 — CID 162025800

IUPAC4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1c[c-]c(-c2nccc3occc23)cc1.Cc1c[c-]c(-c2nccc3occc23)cc1.Fc1c[c-]c(-c2nccc3occc23)c(F)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccc2occc12.c1ccc2c(c1)C[n+]1ccc3occc3c1-2
InChIInChI=1S/C17H16NO.2C14H10NO.C13H6F2NO.C13H8NO.4C5H8O2.4Ir/c1-17(2,3)13-6-4-12(5-7-13)16-14-9-11-19-15(14)8-10-18-16;1-2-4-11-10(3-1)9-15-7-5-13-12(14(11)15)6-8-16-13;1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14;14-8-1-2-9(11(15)7-8)13-10-4-6-17-12(10)3-5-16-13;1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13;4*1-4(6)3-5(2)7;;;;/h4,6-11H,1-3H3;1-8H,9H2;2-4,6-9H,1H3;1,3-7H;1-4,6-9H;4*3,6H,1-2H3;;;;/q-1;+1;3*-1;;;;;;;;
InChIKeyFWZGHRJUBFGMHE-UHFFFAOYSA-N
MW2260.54 g/mol
LogP21.95
Rot. Bonds8

About 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine

4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine (PubChem CID 162025800) has the molecular formula C91H82F2Ir4N5O13-3 and a molecular weight of 2260.54 g/mol. Its IUPAC name is 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine
PubChem CID162025800
Molecular FormulaC91H82F2Ir4N5O13-3
Molecular Weight2260.54 g/mol
Exact Mass2262.44
IUPAC Name4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1c[c-]c(-c2nccc3occc23)cc1.Cc1c[c-]c(-c2nccc3occc23)cc1.Fc1c[c-]c(-c2nccc3occc23)c(F)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccc2occc12.c1ccc2c(c1)C[n+]1ccc3occc3c1-2
InChIInChI=1S/C17H16NO.2C14H10NO.C13H6F2NO.C13H8NO.4C5H8O2.4Ir/c1-17(2,3)13-6-4-12(5-7-13)16-14-9-11-19-15(14)8-10-18-16;1-2-4-11-10(3-1)9-15-7-5-13-12(14(11)15)6-8-16-13;1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14;14-8-1-2-9(11(15)7-8)13-10-4-6-17-12(10)3-5-16-13;1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13;4*1-4(6)3-5(2)7;;;;/h4,6-11H,1-3H3;1-8H,9H2;2-4,6-9H,1H3;1,3-7H;1-4,6-9H;4*3,6H,1-2H3;;;;/q-1;+1;3*-1;;;;;;;;
InChIKeyFWZGHRJUBFGMHE-UHFFFAOYSA-N
XLogP21.95
TPSA270.34 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002260.54
LogP ≤ 521.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine with MolForge

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Related Compounds

4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;13-tert-butyl-5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene;13,15-difluoro-5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene;13-fluoro-5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;13-methoxy-5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene;13-methyl-5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene
CID 161003412
4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;iridium;2-methyl-6-phenylpyridine
CID 140788907
1-(2,4-difluorobenzene-6-id-1-yl)-6-fluoroisoquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58401107
iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine
CID 140788908
CID 158078780
CID 158078780
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 158403336
15-(4-tert-butylbenzene-6-id-1-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 170678696
14-tert-butyl-12,13-diaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene;4-hydroxypent-3-en-2-one;8H-isoindolo[1,2-a]isoquinolin-7-ium;4-methyl-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;6-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;10-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium;1-phenylisoquinoline;platinum
CID 158167380
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 158305909
tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 160783233
(Z)-4-hydroxypent-3-en-2-one;iridium;4-phenylbenzo[f]isoquinoline
CID 59470234
[6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)
CID 162057448

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine?
The IUPAC name of 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine (CID 162025800) is 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1c[c-]c(-c2nccc3occc23)cc1.Cc1c[c-]c(-c2nccc3occc23)cc1.Fc1c[c-]c(-c2nccc3occc23)c(F)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccc2occc12.c1ccc2c(c1)C[n+]1ccc3occc3c1-2.
What is the InChIKey of 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine?
The InChIKey is FWZGHRJUBFGMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16NO.2C14H10NO.C13H6F2NO.C13H8NO.4C5H8O2.4Ir/c1-17(2,3)13-6-4-12(5-7-13)16-14-9-11-19-15(14)8-10-18-16;1-2-4-11-10(3-1)9-15-7-5-13-12(14(11)15)6-8-16-13;1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14;14-8-1-2-9(11(15)7-8)13-10-4-6-17-12(10)3-5-16-13;1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13;4*1-4(6)3-5(2)7;;;;/h4,6-11H,1-3H3;1-8H,9H2;2-4,6-9H,1H3;1,3-7H;1-4,6-9H;4*3,6H,1-2H3;;;;/q-1;+1;3*-1;;;;;;;;.
What are the key properties of 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine?
4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine has a molecular weight of 2260.54 g/mol, XLogP of 21.95, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;4-(2,4-difluorobenzene-6-id-1-yl)furo[3,2-c]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;5-oxa-9-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene;4-phenylfuro[3,2-c]pyridine is sourced from PubChem (CID 162025800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).