diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone

C181H106N15O11PPd5S-2 — CID 157077818

IUPACdiphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone
SMILESCN1c2cc3cccc(-c4noc5ccccc45)c3[c-]c2N(c2[c-]c3c(-c4ccccn4)coc3o2)c2ccccc21.Cn1c(-c2cccc3oc(N(c4[c-]c5c(-c6cc7ccccc7cn6)coc5cc4)c4ccccc4)[c-]c23)nc2ccccc21.Cn1cnc(-c2csc3cc4c5ccccc5n(-c5[c-]c6c(-c7ccccn7)coc6o5)c4[c-]c23)c1.O=C(c1ccccc1)c1coc2ccc(-n3c4[c-]c5c(-c6[c-]cccc6)cccc5cc4c4ccccc43)[c-]c12.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c2c(cc3cccc(-c4ccccn4)c13)Oc1ccccc1N2c1[c-]c2c([PH+](c3ccccc3)c3ccccc3)cccc2o1
InChIInChI=1S/C41H25N2O2P.C39H24N4O2.C37H20NO2.C35H20N4O3.C29H16N4O2S.5Pd/c1-3-14-29(15-4-1)46(30-16-5-2-6-17-30)40-23-12-22-37-33(40)27-41(45-37)43-35-20-7-8-21-38(35)44-39-25-28-13-11-18-31(32(28)26-36(39)43)34-19-9-10-24-42-34;1-42-35-16-8-7-15-33(35)41-39(42)29-14-9-17-37-31(29)22-38(45-37)43(27-12-3-2-4-13-27)28-18-19-36-30(21-28)32(24-44-36)34-20-25-10-5-6-11-26(25)23-40-34;39-37(25-12-5-2-6-13-25)33-23-40-36-19-18-27(21-32(33)36)38-34-17-8-7-15-29(34)31-20-26-14-9-16-28(30(26)22-35(31)38)24-10-3-1-4-11-24;1-38-28-13-3-4-14-29(28)39(33-19-25-26(20-40-35(25)41-33)27-12-6-7-16-36-27)31-18-24-21(17-30(31)38)9-8-11-22(24)34-23-10-2-5-15-32(23)42-37-34;1-32-13-24(31-16-32)22-15-36-27-11-18-17-6-2-3-8-25(17)33(26(18)10-19(22)27)28-12-20-21(14-34-29(20)35-28)23-7-4-5-9-30-23;;;;;/h1-25H;2-20,23-24H,1H3;1-10,12-20,23H;2-17,20H,1H3;2-9,11,13-16H,1H3;;;;;/q2*-2;-3;2*-2;;4*+2/p+1
InChIKeyWIBRROGAYLSVIV-UHFFFAOYSA-O
MW3262.07 g/mol
LogP44.90
Rot. Bonds20

About diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone

diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone (PubChem CID 157077818) has the molecular formula C181H106N15O11PPd5S-2 and a molecular weight of 3262.07 g/mol. Its IUPAC name is diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone.

Molecular Properties

Compound Namediphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone
PubChem CID157077818
Molecular FormulaC181H106N15O11PPd5S-2
Molecular Weight3262.07 g/mol
Exact Mass3257.28
IUPAC Namediphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone
SMILESCN1c2cc3cccc(-c4noc5ccccc45)c3[c-]c2N(c2[c-]c3c(-c4ccccn4)coc3o2)c2ccccc21.Cn1c(-c2cccc3oc(N(c4[c-]c5c(-c6cc7ccccc7cn6)coc5cc4)c4ccccc4)[c-]c23)nc2ccccc21.Cn1cnc(-c2csc3cc4c5ccccc5n(-c5[c-]c6c(-c7ccccn7)coc6o5)c4[c-]c23)c1.O=C(c1ccccc1)c1coc2ccc(-n3c4[c-]c5c(-c6[c-]cccc6)cccc5cc4c4ccccc43)[c-]c12.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c2c(cc3cccc(-c4ccccn4)c13)Oc1ccccc1N2c1[c-]c2c([PH+](c3ccccc3)c3ccccc3)cccc2o1
InChIInChI=1S/C41H25N2O2P.C39H24N4O2.C37H20NO2.C35H20N4O3.C29H16N4O2S.5Pd/c1-3-14-29(15-4-1)46(30-16-5-2-6-17-30)40-23-12-22-37-33(40)27-41(45-37)43-35-20-7-8-21-38(35)44-39-25-28-13-11-18-31(32(28)26-36(39)43)34-19-9-10-24-42-34;1-42-35-16-8-7-15-33(35)41-39(42)29-14-9-17-37-31(29)22-38(45-37)43(27-12-3-2-4-13-27)28-18-19-36-30(21-28)32(24-44-36)34-20-25-10-5-6-11-26(25)23-40-34;39-37(25-12-5-2-6-13-25)33-23-40-36-19-18-27(21-32(33)36)38-34-17-8-7-15-29(34)31-20-26-14-9-16-28(30(26)22-35(31)38)24-10-3-1-4-11-24;1-38-28-13-3-4-14-29(28)39(33-19-25-26(20-40-35(25)41-33)27-12-6-7-16-36-27)31-18-24-21(17-30(31)38)9-8-11-22(24)34-23-10-2-5-15-32(23)42-37-34;1-32-13-24(31-16-32)22-15-36-27-11-18-17-6-2-3-8-25(17)33(26(18)10-19(22)27)28-12-20-21(14-34-29(20)35-28)23-7-4-5-9-30-23;;;;;/h1-25H;2-20,23-24H,1H3;1-10,12-20,23H;2-17,20H,1H3;2-9,11,13-16H,1H3;;;;;/q2*-2;-3;2*-2;;4*+2/p+1
InChIKeyWIBRROGAYLSVIV-UHFFFAOYSA-O
XLogP44.90
TPSA267.47 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003262.07
LogP ≤ 544.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone with MolForge

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Related Compounds

diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;3-isoquinolin-3-yl-N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenylfuro[3,2-b]pyridin-5-amine;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;nickel;tris(nickel(2+));phenyl-[5-(7-pyridin-2-yl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone
CID 157095943
copper;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]-3-methyl-N-phenyl-1,6,7,11-tetrahydronaphtho[1,2-e]indole-1,11-diid-2-amine;4-(1-methylbenzimidazol-2-yl)-N-[3-(3H-naphthalen-3-id-2-yl)-4H-1-benzofuran-4-id-5-yl]-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-phenyl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone
CID 158522803
copper;1-(1-methylimidazol-4-yl)-9-[3-(3H-thieno[2,3-b]thiophen-3-id-4-yl)benzene-2-id-1-yl]-10H-thieno[3,2-b]carbazol-10-ide;4-(1-methyl-3H-indol-3-id-2-yl)-N-phenyl-N-(3-thieno[3,2-b]pyridin-3-ylbenzene-2-id-1-yl)-3H-1-benzofuran-3-id-2-amine;5-(3-phenylbenzene-2-id-1-yl)-7-pyridin-2-yl-6H-benzo[b]carbazol-6-ide;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide;N-phenyl-N-(3-phenyl-4H-furo[2,3-b]furan-4-id-5-yl)-7,11-dihydro-6H-naphtho[1,2-e][1,3]benzothiazol-11-id-10-amine
CID 159116455
copper diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium
CID 162457869
cobalt;N-[3-(3,5-dimethylpyrazol-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-5,6-dihydro-1,10-phenanthrolin-2-amine;diphenyl-[2-[6-(2-quinolin-8-yl-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl)-2-pyridinyl]propan-2-yl]phosphanium;N-[4-(1-methylbenzimidazol-2-yl)-3H-1-benzofuran-3-id-2-yl]-N-phenyl-6-thieno[3,2-b]pyridin-3-ylpyridin-2-amine;12-(1-methylimidazol-4-yl)-8-(3-thieno[3,2-d][1,3]thiazol-6-ylbenzene-2-id-1-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
CID 157348141
CID 157414648
CID 157414648
CID 159953158
CID 159953158
CID 159027190
CID 159027190
diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine
CID 160971506
12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
CID 140690077
9-[9-(2H-1-benzothiophen-2-id-3-yl)-9H-indeno[2,1-b]pyridin-2-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;cobalt;bis(cobalt(2+));2-(3,5-dimethylpyrazol-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indole;[2-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;N-phenyl-N-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6,7-dihydro-[1,3]benzothiazolo[5,4-h]quinolin-10-amine;4-pyridin-2-yl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)quinolino[3,2-b][1,4]benzoxazine
CID 162030646
11-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]-2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;copper;N-[3-(3,5-dimethyl-2H-pyrrol-2-id-1-yl)-4H-thieno[2,3-b]thiophen-4-id-5-yl]-N-phenyl-6,10-dihydro-5H-benzo[h]quinolin-10-id-9-amine;1-(1-methylimidazol-4-yl)-9-[3-(3H-thieno[2,3-b]thiophen-3-id-4-yl)benzene-2-id-1-yl]-10H-thieno[3,2-b]carbazol-10-ide;2-[3-[2-(8H-naphthalen-8-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-11-yl]benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium
CID 158465096

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone?
The IUPAC name of diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone (CID 157077818) is diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone.
What is the SMILES notation for diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone?
The canonical SMILES for diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone is CN1c2cc3cccc(-c4noc5ccccc45)c3[c-]c2N(c2[c-]c3c(-c4ccccn4)coc3o2)c2ccccc21.Cn1c(-c2cccc3oc(N(c4[c-]c5c(-c6cc7ccccc7cn6)coc5cc4)c4ccccc4)[c-]c23)nc2ccccc21.Cn1cnc(-c2csc3cc4c5ccccc5n(-c5[c-]c6c(-c7ccccn7)coc6o5)c4[c-]c23)c1.O=C(c1ccccc1)c1coc2ccc(-n3c4[c-]c5c(-c6[c-]cccc6)cccc5cc4c4ccccc43)[c-]c12.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c2c(cc3cccc(-c4ccccn4)c13)Oc1ccccc1N2c1[c-]c2c([PH+](c3ccccc3)c3ccccc3)cccc2o1.
What is the InChIKey of diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone?
The InChIKey is WIBRROGAYLSVIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C41H25N2O2P.C39H24N4O2.C37H20NO2.C35H20N4O3.C29H16N4O2S.5Pd/c1-3-14-29(15-4-1)46(30-16-5-2-6-17-30)40-23-12-22-37-33(40)27-41(45-37)43-35-20-7-8-21-38(35)44-39-25-28-13-11-18-31(32(28)26-36(39)43)34-19-9-10-24-42-34;1-42-35-16-8-7-15-33(35)41-39(42)29-14-9-17-37-31(29)22-38(45-37)43(27-12-3-2-4-13-27)28-18-19-36-30(21-28)32(24-44-36)34-20-25-10-5-6-11-26(25)23-40-34;39-37(25-12-5-2-6-13-25)33-23-40-36-19-18-27(21-32(33)36)38-34-17-8-7-15-29(34)31-20-26-14-9-16-28(30(26)22-35(31)38)24-10-3-1-4-11-24;1-38-28-13-3-4-14-29(28)39(33-19-25-26(20-40-35(25)41-33)27-12-6-7-16-36-27)31-18-24-21(17-30(31)38)9-8-11-22(24)34-23-10-2-5-15-32(23)42-37-34;1-32-13-24(31-16-32)22-15-36-27-11-18-17-6-2-3-8-25(17)33(26(18)10-19(22)27)28-12-20-21(14-34-29(20)35-28)23-7-4-5-9-30-23;;;;;/h1-25H;2-20,23-24H,1H3;1-10,12-20,23H;2-17,20H,1H3;2-9,11,13-16H,1H3;;;;;/q2*-2;-3;2*-2;;4*+2/p+1.
What are the key properties of diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone?
diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone has a molecular weight of 3262.07 g/mol, XLogP of 44.90, 20 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-id-12-yl)-3H-1-benzofuran-3-id-4-yl]phosphanium;N-(3-isoquinolin-3-yl-4H-1-benzofuran-4-id-5-yl)-4-(1-methylbenzimidazol-2-yl)-N-phenyl-3H-1-benzofuran-3-id-2-amine;1-(1-methylimidazol-4-yl)-9-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-10H-thieno[3,2-b]carbazol-10-ide;3-[12-methyl-5-(3-pyridin-2-yl-4H-furo[2,3-b]furan-4-id-5-yl)-6H-benzo[b]phenazin-6-id-7-yl]-1,2-benzoxazole;palladium;tetrakis(palladium(2+));phenyl-[5-(7-phenyl-6H-benzo[b]carbazol-6-id-5-yl)-4H-1-benzofuran-4-id-3-yl]methanone is sourced from PubChem (CID 157077818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).