CID 165094107

C316H265F9N18O20S29 — CID 165094107

IUPAC—
SMILESCC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CCN1C(=O)/C(=C/C2=Cc3sc4c(sc5c6c(sc54)C=C(/C=C4\SC(=S)N(CC)C4=O)C64CCCCC4)c3C23CCCCC3)SC1=S.O=C1C(=CC2=Cc3sc4c(sc5c6c(sc54)C=C(C=C4C(=O)c5ccccc5C4=O)C64CCCCC4)c3C23CCCCC3)C(=O)c2ccccc21.O=C1C(=O)c2ccccc2/C1=C/C1=Cc2sc3c(sc4c5c(sc43)C=C(/C=C3\C(=O)C(=O)c4ccccc43)C53CCCCC3)c2C12CCCCC2.[C-]#[N+]/C(C#N)=C\c1cc(OC)c(C2=Cc3sc4c(sc5c6c(sc54)C=C(c4sc(/C=C(\C#N)[N+]#[C-])cc4OC)C64CCCCC4)c3C23CCCCC3)s1.[C-]#[N+]/C(C#N)=C\c1cc(OCCC)c(C2=Cc3sc4c(sc5c6c(sc54)C=C(c4sc(/C=C(\C#N)[N+]#[C-])cc4OCCC)C64CCCCC4)c3C23CCCCC3)s1.[C-]#[N+]C(C#N)=C1/C(=C\C2=Cc3sc4c(sc5c6c(sc54)C=C(/C=C4\C(=O)c5ccccc5\C4=C(\C#N)[N+]#[C-])C64CCCCC4)c3C23CCCCC3)C(=O)c2ccccc21.[C-]#[N+]C1=C(C)/C(=C\C2=Cc3sc4c(sc5c6c(sc54)C=C(/C=C4/C(=O)N(C)C(=O)C(C#N)=C4C)C64CCCCC4)c3C23CCCCC3)C(=O)N(C)C1=O
InChIInChI=1S/C50H32N4O2S3.C46H40N4O2S5.2C44H32O4S3.C42H36N4O4S3.C42H32N4O2S5.C36H34N2O2S7.3C2H3F3.3C2H6/c1-53-35(25-51)39-29-13-5-7-15-31(29)43(55)33(39)21-27-23-37-41(49(27)17-9-3-10-18-49)45-47(57-37)48-46(59-45)42-38(58-48)24-28(50(42)19-11-4-12-20-50)22-34-40(36(26-52)54-2)30-14-6-8-16-32(30)44(34)56;1-5-17-51-33-21-29(19-27(25-47)49-3)53-39(33)31-23-35-37(45(31)13-9-7-10-14-45)41-43(55-35)44-42(57-41)38-36(56-44)24-32(46(38)15-11-8-12-16-46)40-34(52-18-6-2)22-30(54-40)20-28(26-48)50-4;45-35-27-13-5-3-11-25(27)29(37(35)47)19-23-21-31-33(43(23)15-7-1-8-16-43)39-41(49-31)42-40(51-39)34-32(50-42)22-24(44(34)17-9-2-10-18-44)20-30-26-12-4-6-14-28(26)36(46)38(30)48;45-35-25-11-3-4-12-26(25)36(46)29(35)19-23-21-31-33(43(23)15-7-1-8-16-43)39-41(49-31)42-40(51-39)34-32(50-42)22-24(44(34)17-9-2-10-18-44)20-30-37(47)27-13-5-6-14-28(27)38(30)48;1-21-25(37(47)45(4)39(49)27(21)20-43)16-23-18-28-30(41(23)12-8-6-9-13-41)33-35(51-28)36-34(53-33)31-29(52-36)19-24(42(31)14-10-7-11-15-42)17-26-22(2)32(44-3)40(50)46(5)38(26)48;1-45-23(21-43)15-25-17-29(47-3)35(49-25)27-19-31-33(41(27)11-7-5-8-12-41)37-39(51-31)40-38(53-37)34-32(52-40)20-28(42(34)13-9-6-10-14-42)36-30(48-4)18-26(50-36)16-24(22-44)46-2;1-3-37-31(39)23(45-33(37)41)17-19-15-21-25(35(19)11-7-5-8-12-35)27-29(43-21)30-28(47-27)26-22(44-30)16-20(36(26)13-9-6-10-14-36)18-24-32(40)38(4-2)34(42)46-24;3*1-2(3,4)5;3*1-2/h5-8,13-16,21-24H,3-4,9-12,17-20H2;19-24H,5-18H2,1-2H3;2*3-6,11-14,19-22H,1-2,7-10,15-18H2;16-19H,6-15H2,1-2,4-5H3;15-20H,5-14H2,3-4H3;15-18H,3-14H2,1-2H3;3*1H3;3*1-2H3/b33-21-,34-22+,39-35+,40-36?;27-19-,28-20+;29-19-,30-20-;;25-16+,26-17+;23-15-,24-16+;23-17-,24-18-;;;;;;
InChIKeyXFCDDXINRGQYPY-QFKWBVMKSA-N
MW5735.63 g/mol
LogP92.09
Rot. Bonds28

About CID 165094107

CID 165094107 (PubChem CID 165094107) has the molecular formula C316H265F9N18O20S29 and a molecular weight of 5735.63 g/mol.

Molecular Properties

Compound NameCID 165094107
PubChem CID165094107
Molecular FormulaC316H265F9N18O20S29
Molecular Weight5735.63 g/mol
Exact Mass5729.20
IUPAC Name—
SMILESCC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CCN1C(=O)/C(=C/C2=Cc3sc4c(sc5c6c(sc54)C=C(/C=C4\SC(=S)N(CC)C4=O)C64CCCCC4)c3C23CCCCC3)SC1=S.O=C1C(=CC2=Cc3sc4c(sc5c6c(sc54)C=C(C=C4C(=O)c5ccccc5C4=O)C64CCCCC4)c3C23CCCCC3)C(=O)c2ccccc21.O=C1C(=O)c2ccccc2/C1=C/C1=Cc2sc3c(sc4c5c(sc43)C=C(/C=C3\C(=O)C(=O)c4ccccc43)C53CCCCC3)c2C12CCCCC2.[C-]#[N+]/C(C#N)=C\c1cc(OC)c(C2=Cc3sc4c(sc5c6c(sc54)C=C(c4sc(/C=C(\C#N)[N+]#[C-])cc4OC)C64CCCCC4)c3C23CCCCC3)s1.[C-]#[N+]/C(C#N)=C\c1cc(OCCC)c(C2=Cc3sc4c(sc5c6c(sc54)C=C(c4sc(/C=C(\C#N)[N+]#[C-])cc4OCCC)C64CCCCC4)c3C23CCCCC3)s1.[C-]#[N+]C(C#N)=C1/C(=C\C2=Cc3sc4c(sc5c6c(sc54)C=C(/C=C4\C(=O)c5ccccc5\C4=C(\C#N)[N+]#[C-])C64CCCCC4)c3C23CCCCC3)C(=O)c2ccccc21.[C-]#[N+]C1=C(C)/C(=C\C2=Cc3sc4c(sc5c6c(sc54)C=C(/C=C4/C(=O)N(C)C(=O)C(C#N)=C4C)C64CCCCC4)c3C23CCCCC3)C(=O)N(C)C1=O
InChIInChI=1S/C50H32N4O2S3.C46H40N4O2S5.2C44H32O4S3.C42H36N4O4S3.C42H32N4O2S5.C36H34N2O2S7.3C2H3F3.3C2H6/c1-53-35(25-51)39-29-13-5-7-15-31(29)43(55)33(39)21-27-23-37-41(49(27)17-9-3-10-18-49)45-47(57-37)48-46(59-45)42-38(58-48)24-28(50(42)19-11-4-12-20-50)22-34-40(36(26-52)54-2)30-14-6-8-16-32(30)44(34)56;1-5-17-51-33-21-29(19-27(25-47)49-3)53-39(33)31-23-35-37(45(31)13-9-7-10-14-45)41-43(55-35)44-42(57-41)38-36(56-44)24-32(46(38)15-11-8-12-16-46)40-34(52-18-6-2)22-30(54-40)20-28(26-48)50-4;45-35-27-13-5-3-11-25(27)29(37(35)47)19-23-21-31-33(43(23)15-7-1-8-16-43)39-41(49-31)42-40(51-39)34-32(50-42)22-24(44(34)17-9-2-10-18-44)20-30-26-12-4-6-14-28(26)36(46)38(30)48;45-35-25-11-3-4-12-26(25)36(46)29(35)19-23-21-31-33(43(23)15-7-1-8-16-43)39-41(49-31)42-40(51-39)34-32(50-42)22-24(44(34)17-9-2-10-18-44)20-30-37(47)27-13-5-6-14-28(27)38(30)48;1-21-25(37(47)45(4)39(49)27(21)20-43)16-23-18-28-30(41(23)12-8-6-9-13-41)33-35(51-28)36-34(53-33)31-29(52-36)19-24(42(31)14-10-7-11-15-42)17-26-22(2)32(44-3)40(50)46(5)38(26)48;1-45-23(21-43)15-25-17-29(47-3)35(49-25)27-19-31-33(41(27)11-7-5-8-12-41)37-39(51-31)40-38(53-37)34-32(52-40)20-28(42(34)13-9-6-10-14-42)36-30(48-4)18-26(50-36)16-24(22-44)46-2;1-3-37-31(39)23(45-33(37)41)17-19-15-21-25(35(19)11-7-5-8-12-35)27-29(43-21)30-28(47-27)26-22(44-30)16-20(36(26)13-9-6-10-14-36)18-24-32(40)38(4-2)34(42)46-24;3*1-2(3,4)5;3*1-2/h5-8,13-16,21-24H,3-4,9-12,17-20H2;19-24H,5-18H2,1-2H3;2*3-6,11-14,19-22H,1-2,7-10,15-18H2;16-19H,6-15H2,1-2,4-5H3;15-20H,5-14H2,3-4H3;15-18H,3-14H2,1-2H3;3*1H3;3*1-2H3/b33-21-,34-22+,39-35+,40-36?;27-19-,28-20+;29-19-,30-20-;;25-16+,26-17+;23-15-,24-16+;23-17-,24-18-;;;;;;
InChIKeyXFCDDXINRGQYPY-QFKWBVMKSA-N
XLogP92.09
TPSA520.05 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds28
Heavy Atoms392
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005735.63
LogP ≤ 592.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

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Related Compounds

(E)-3-[5-[6-[5-[(Z)-2-cyano-2-isocyanoethenyl]-3-methoxythiophen-2-yl]spiro[3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-13,1'-cyclohexane]-14-yl]-4-methoxythiophen-2-yl]-2-isocyanoprop-2-enenitrile;(E)-3-[5-[6-[5-[(Z)-2-cyano-2-isocyanoethenyl]-3-propoxythiophen-2-yl]spiro[3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-13,1'-cyclohexane]-14-yl]-4-propoxythiophen-2-yl]-2-isocyanoprop-2-enenitrile;(2E)-2-[(2Z)-2-[[6-[(E)-[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]methyl]spiro[3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-13,1'-cyclohexane]-14-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-13,1'-cyclohexane]-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-13,1'-cyclohexane]-14-yl]methylidene]indene-1,2-dione;ethane;(5Z)-3-ethyl-5-[[6-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]spiro[3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-13,1'-cyclohexane]-14-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)
CID 165026664
CID 165051233
CID 165051233
2-[[5-[11-[5-[(E)-2-cyano-2-isocyanoethenyl]-3-methoxythiophen-2-yl]spiro[3,7,14-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-10,1'-cyclohexane]-4-yl]-4-methoxythiophen-2-yl]methylidene]propanedinitrile;2-[[4-(2,2-dicyanoethenyl)spiro[3,7,14-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-10,1'-cyclohexane]-11-yl]methylidene]propanedinitrile;2-[[5-[4-[5-(2,2-dicyanoethenyl)thiophen-2-yl]spiro[3,7,14-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-10,1'-cyclohexane]-11-yl]thiophen-2-yl]methylidene]propanedinitrile;2-[(2Z)-2-[[4-[(Z)-[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]spiro[3,7,14-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-10,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[[4-[(1,3-dioxoinden-2-ylidene)methyl]-10,10-dimethyl-3,7,14-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-11-yl]methylidene]indene-1,3-dione;(5Z)-3-ethyl-5-[[4-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]spiro[3,7,14-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-10,1'-cyclohexane]-11-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 165057864
CID 165069899
CID 165069899
CID 165055220
CID 165055220
(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)
CID 165086858
CID 164765000
CID 164765000
CID 165070311
CID 165070311
2-[[11-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]indene-1,3-dithione;2-[[11-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[11-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[11-[(Z)-[2,3-dioxo-6-(trifluoromethyl)inden-1-ylidene]methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-5-methylindene-1,2-dione;(5E)-5-[[11-[(E)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
CID 165038641
CID 165088912
CID 165088912
N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]thiophen-2-yl]-7,7,10,10,13,13-hexamethyl-3,17-dithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[2-[[14-[[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]amino]-7,7,10,10,13,13-hexamethyl-3,17-dithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[[14-[[(2E)-2-[cyano(isocyano)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]amino]-7,7,10,10,13,13-hexamethyl-3,17-dithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-7,7,10,10,13,13-hexamethyl-3,17-dithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;3-ethyl-5-[[14-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-7,7,10,10,13,13-hexamethyl-3,17-dithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[14-[(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-7,7,10,10,13,13-hexamethyl-3,17-dithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
CID 165069176
CID 165035657
CID 165035657

Frequently Asked Questions

What is the IUPAC name of CID 165094107?
The IUPAC name of CID 165094107 (CID 165094107) is not available.
What is the SMILES notation for CID 165094107?
The canonical SMILES for CID 165094107 is CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CCN1C(=O)/C(=C/C2=Cc3sc4c(sc5c6c(sc54)C=C(/C=C4\SC(=S)N(CC)C4=O)C64CCCCC4)c3C23CCCCC3)SC1=S.O=C1C(=CC2=Cc3sc4c(sc5c6c(sc54)C=C(C=C4C(=O)c5ccccc5C4=O)C64CCCCC4)c3C23CCCCC3)C(=O)c2ccccc21.O=C1C(=O)c2ccccc2/C1=C/C1=Cc2sc3c(sc4c5c(sc43)C=C(/C=C3\C(=O)C(=O)c4ccccc43)C53CCCCC3)c2C12CCCCC2.[C-]#[N+]/C(C#N)=C\c1cc(OC)c(C2=Cc3sc4c(sc5c6c(sc54)C=C(c4sc(/C=C(\C#N)[N+]#[C-])cc4OC)C64CCCCC4)c3C23CCCCC3)s1.[C-]#[N+]/C(C#N)=C\c1cc(OCCC)c(C2=Cc3sc4c(sc5c6c(sc54)C=C(c4sc(/C=C(\C#N)[N+]#[C-])cc4OCCC)C64CCCCC4)c3C23CCCCC3)s1.[C-]#[N+]C(C#N)=C1/C(=C\C2=Cc3sc4c(sc5c6c(sc54)C=C(/C=C4\C(=O)c5ccccc5\C4=C(\C#N)[N+]#[C-])C64CCCCC4)c3C23CCCCC3)C(=O)c2ccccc21.[C-]#[N+]C1=C(C)/C(=C\C2=Cc3sc4c(sc5c6c(sc54)C=C(/C=C4/C(=O)N(C)C(=O)C(C#N)=C4C)C64CCCCC4)c3C23CCCCC3)C(=O)N(C)C1=O.
What is the InChIKey of CID 165094107?
The InChIKey is XFCDDXINRGQYPY-QFKWBVMKSA-N. The full InChI is InChI=1S/C50H32N4O2S3.C46H40N4O2S5.2C44H32O4S3.C42H36N4O4S3.C42H32N4O2S5.C36H34N2O2S7.3C2H3F3.3C2H6/c1-53-35(25-51)39-29-13-5-7-15-31(29)43(55)33(39)21-27-23-37-41(49(27)17-9-3-10-18-49)45-47(57-37)48-46(59-45)42-38(58-48)24-28(50(42)19-11-4-12-20-50)22-34-40(36(26-52)54-2)30-14-6-8-16-32(30)44(34)56;1-5-17-51-33-21-29(19-27(25-47)49-3)53-39(33)31-23-35-37(45(31)13-9-7-10-14-45)41-43(55-35)44-42(57-41)38-36(56-44)24-32(46(38)15-11-8-12-16-46)40-34(52-18-6-2)22-30(54-40)20-28(26-48)50-4;45-35-27-13-5-3-11-25(27)29(37(35)47)19-23-21-31-33(43(23)15-7-1-8-16-43)39-41(49-31)42-40(51-39)34-32(50-42)22-24(44(34)17-9-2-10-18-44)20-30-26-12-4-6-14-28(26)36(46)38(30)48;45-35-25-11-3-4-12-26(25)36(46)29(35)19-23-21-31-33(43(23)15-7-1-8-16-43)39-41(49-31)42-40(51-39)34-32(50-42)22-24(44(34)17-9-2-10-18-44)20-30-37(47)27-13-5-6-14-28(27)38(30)48;1-21-25(37(47)45(4)39(49)27(21)20-43)16-23-18-28-30(41(23)12-8-6-9-13-41)33-35(51-28)36-34(53-33)31-29(52-36)19-24(42(31)14-10-7-11-15-42)17-26-22(2)32(44-3)40(50)46(5)38(26)48;1-45-23(21-43)15-25-17-29(47-3)35(49-25)27-19-31-33(41(27)11-7-5-8-12-41)37-39(51-31)40-38(53-37)34-32(52-40)20-28(42(34)13-9-6-10-14-42)36-30(48-4)18-26(50-36)16-24(22-44)46-2;1-3-37-31(39)23(45-33(37)41)17-19-15-21-25(35(19)11-7-5-8-12-35)27-29(43-21)30-28(47-27)26-22(44-30)16-20(36(26)13-9-6-10-14-36)18-24-32(40)38(4-2)34(42)46-24;3*1-2(3,4)5;3*1-2/h5-8,13-16,21-24H,3-4,9-12,17-20H2;19-24H,5-18H2,1-2H3;2*3-6,11-14,19-22H,1-2,7-10,15-18H2;16-19H,6-15H2,1-2,4-5H3;15-20H,5-14H2,3-4H3;15-18H,3-14H2,1-2H3;3*1H3;3*1-2H3/b33-21-,34-22+,39-35+,40-36?;27-19-,28-20+;29-19-,30-20-;;25-16+,26-17+;23-15-,24-16+;23-17-,24-18-;;;;;;.
What are the key properties of CID 165094107?
CID 165094107 has a molecular weight of 5735.63 g/mol, XLogP of 92.09, 28 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165094107 is sourced from PubChem (CID 165094107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).