10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+))

C181H136N12O4Pt4+4 — CID 157382247

IUPAC10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+))
SMILESCCC1(CC)c2ccccc2-c2c(-c3cccc[n+]3C)[c-]c(-n3c4ccccc4c4cccnc43)cc21.CCC1(CC)c2ccccc2-c2ccc(-c3cc[n+](C)c(-c4[c-]c(N5c6ccccc6Oc6cccnc65)ccc4)c3)cc21.C[n+]1ccccc1-c1[c-]c(-n2c3ccccc3c3cccnc32)cc(-c2ccc(-c3ccccc3)cc2)c1.C[n+]1ccccc1-c1[c-]c(-n2c3ccccc3c3cccnc32)cc2c1oc1ccccc12.[C-]#Cc1cc(C)c(OC)c(OC)c1.[C-]#Cc1ccc(C#Cc2ccccc2)cc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C40H33N3O.C35H25N3.C34H29N3.C29H19N3O.C16H9.C11H11O2.2C8H5.4Pt/c1-4-40(5-2)33-15-7-6-14-31(33)32-20-19-27(25-34(32)40)28-21-23-42(3)36(26-28)29-12-10-13-30(24-29)43-35-16-8-9-17-37(35)44-38-18-11-22-41-39(38)43;1-37-21-8-7-14-33(37)29-22-28(27-18-16-26(17-19-27)25-10-3-2-4-11-25)23-30(24-29)38-34-15-6-5-12-31(34)32-13-9-20-36-35(32)38;1-4-34(5-2)28-16-8-6-14-26(28)32-27(30-17-10-11-20-36(30)3)21-23(22-29(32)34)37-31-18-9-7-13-24(31)25-15-12-19-35-33(25)37;1-31-16-7-6-12-25(31)24-18-19(17-23-21-10-3-5-14-27(21)33-28(23)24)32-26-13-4-2-9-20(26)22-11-8-15-30-29(22)32;1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15;1-5-9-6-8(2)11(13-4)10(7-9)12-3;2*1-2-8-6-4-3-5-7-8;;;;/h6-23,25-26H,4-5H2,1-3H3;2-23H,1H3;6-20,22H,4-5H2,1-3H3;2-17H,1H3;3-11H;6-7H,2-4H3;2*3-7H;;;;/q;;;;4*-1;4*+2
InChIKeyDNQYERAINXQIAL-UHFFFAOYSA-N
MW3323.47 g/mol
LogP39.65
Rot. Bonds17

About 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+))

10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+)) (PubChem CID 157382247) has the molecular formula C181H136N12O4Pt4+4 and a molecular weight of 3323.47 g/mol. Its IUPAC name is 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+)).

Molecular Properties

Compound Name10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+))
PubChem CID157382247
Molecular FormulaC181H136N12O4Pt4+4
Molecular Weight3323.47 g/mol
Exact Mass3320.94
IUPAC Name10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+))
SMILESCCC1(CC)c2ccccc2-c2c(-c3cccc[n+]3C)[c-]c(-n3c4ccccc4c4cccnc43)cc21.CCC1(CC)c2ccccc2-c2ccc(-c3cc[n+](C)c(-c4[c-]c(N5c6ccccc6Oc6cccnc65)ccc4)c3)cc21.C[n+]1ccccc1-c1[c-]c(-n2c3ccccc3c3cccnc32)cc(-c2ccc(-c3ccccc3)cc2)c1.C[n+]1ccccc1-c1[c-]c(-n2c3ccccc3c3cccnc32)cc2c1oc1ccccc12.[C-]#Cc1cc(C)c(OC)c(OC)c1.[C-]#Cc1ccc(C#Cc2ccccc2)cc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C40H33N3O.C35H25N3.C34H29N3.C29H19N3O.C16H9.C11H11O2.2C8H5.4Pt/c1-4-40(5-2)33-15-7-6-14-31(33)32-20-19-27(25-34(32)40)28-21-23-42(3)36(26-28)29-12-10-13-30(24-29)43-35-16-8-9-17-37(35)44-38-18-11-22-41-39(38)43;1-37-21-8-7-14-33(37)29-22-28(27-18-16-26(17-19-27)25-10-3-2-4-11-25)23-30(24-29)38-34-15-6-5-12-31(34)32-13-9-20-36-35(32)38;1-4-34(5-2)28-16-8-6-14-26(28)32-27(30-17-10-11-20-36(30)3)21-23(22-29(32)34)37-31-18-9-7-13-24(31)25-15-12-19-35-33(25)37;1-31-16-7-6-12-25(31)24-18-19(17-23-21-10-3-5-14-27(21)33-28(23)24)32-26-13-4-2-9-20(26)22-11-8-15-30-29(22)32;1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15;1-5-9-6-8(2)11(13-4)10(7-9)12-3;2*1-2-8-6-4-3-5-7-8;;;;/h6-23,25-26H,4-5H2,1-3H3;2-23H,1H3;6-20,22H,4-5H2,1-3H3;2-17H,1H3;3-11H;6-7H,2-4H3;2*3-7H;;;;/q;;;;4*-1;4*+2
InChIKeyDNQYERAINXQIAL-UHFFFAOYSA-N
XLogP39.65
TPSA125.94 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003323.47
LogP ≤ 539.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+))?
The IUPAC name of 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+)) (CID 157382247) is 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+)).
What is the SMILES notation for 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+))?
The canonical SMILES for 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+)) is CCC1(CC)c2ccccc2-c2c(-c3cccc[n+]3C)[c-]c(-n3c4ccccc4c4cccnc43)cc21.CCC1(CC)c2ccccc2-c2ccc(-c3cc[n+](C)c(-c4[c-]c(N5c6ccccc6Oc6cccnc65)ccc4)c3)cc21.C[n+]1ccccc1-c1[c-]c(-n2c3ccccc3c3cccnc32)cc(-c2ccc(-c3ccccc3)cc2)c1.C[n+]1ccccc1-c1[c-]c(-n2c3ccccc3c3cccnc32)cc2c1oc1ccccc12.[C-]#Cc1cc(C)c(OC)c(OC)c1.[C-]#Cc1ccc(C#Cc2ccccc2)cc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+))?
The InChIKey is DNQYERAINXQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N3O.C35H25N3.C34H29N3.C29H19N3O.C16H9.C11H11O2.2C8H5.4Pt/c1-4-40(5-2)33-15-7-6-14-31(33)32-20-19-27(25-34(32)40)28-21-23-42(3)36(26-28)29-12-10-13-30(24-29)43-35-16-8-9-17-37(35)44-38-18-11-22-41-39(38)43;1-37-21-8-7-14-33(37)29-22-28(27-18-16-26(17-19-27)25-10-3-2-4-11-25)23-30(24-29)38-34-15-6-5-12-31(34)32-13-9-20-36-35(32)38;1-4-34(5-2)28-16-8-6-14-26(28)32-27(30-17-10-11-20-36(30)3)21-23(22-29(32)34)37-31-18-9-7-13-24(31)25-15-12-19-35-33(25)37;1-31-16-7-6-12-25(31)24-18-19(17-23-21-10-3-5-14-27(21)33-28(23)24)32-26-13-4-2-9-20(26)22-11-8-15-30-29(22)32;1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15;1-5-9-6-8(2)11(13-4)10(7-9)12-3;2*1-2-8-6-4-3-5-7-8;;;;/h6-23,25-26H,4-5H2,1-3H3;2-23H,1H3;6-20,22H,4-5H2,1-3H3;2-17H,1H3;3-11H;6-7H,2-4H3;2*3-7H;;;;/q;;;;4*-1;4*+2.
What are the key properties of 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+))?
10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+)) has a molecular weight of 3323.47 g/mol, XLogP of 39.65, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[4-(9,9-diethylfluoren-2-yl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[9,9-diethyl-4-(1-methylpyridin-1-ium-2-yl)-3H-fluoren-3-id-2-yl]pyrido[2,3-b]indole;ethynylbenzene;5-ethynyl-1,2-dimethoxy-3-methylbenzene;1-ethynyl-4-(2-phenylethynyl)benzene;9-[4-(1-methylpyridin-1-ium-2-yl)-3H-dibenzofuran-3-id-2-yl]pyrido[2,3-b]indole;9-[3-(1-methylpyridin-1-ium-2-yl)-5-(4-phenylphenyl)benzene-2-id-1-yl]pyrido[2,3-b]indole;tetrakis(platinum(2+)) is sourced from PubChem (CID 157382247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).