CID 165103742

C276H198F4N10O32S28 — CID 165103742

IUPAC—
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cc2c(s1)-c1sc3c4c(sc3c1OC21CCCCC1)-c1sc(/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1C1(CCCCC1)O4.N#Cc1cc2c(cc1C#N)C(=O)C(=Cc1cc3c(s1)-c1sc4c5c(sc4c1OC31CCCCC1)-c1sc(C=C3C(=O)c4cc(C#N)c(C#N)cc4C3=O)cc1C1(CCCCC1)O5)C2=O.O=C1C(=Cc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)cc2C2(CCCCC2)O5)C(=O)c2cc(F)c(F)cc21.O=C1C(=Cc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(C=C3C(=O)c4ccccc4C3=O)cc2C2(CCCCC2)O5)C(=O)c2ccccc21.O=C1C(=Nc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(N=C3C(=O)C4CCCCC4C3=O)cc2C2(CCCCC2)O5)C(=O)C2CCCCC12.S=C1C(=Cc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(C=C3C(=S)c4ccccc4C3=S)cc2C2(CCCCC2)O5)C(=S)c2ccccc21
InChIInChI=1S/C50H28N4O6S4.C46H28F4O6S4.C46H32O6S4.C46H32O2S8.C44H36N4O6S4.C44H42N2O6S4/c51-19-23-11-29-30(12-24(23)20-52)38(56)33(37(29)55)15-27-17-35-43(61-27)45-41(59-49(35)7-3-1-4-8-49)47-48(63-45)42-46(64-47)44-36(50(60-42)9-5-2-6-10-50)18-28(62-44)16-34-39(57)31-13-25(21-53)26(22-54)14-32(31)40(34)58;47-29-15-21-22(16-30(29)48)34(52)25(33(21)51)11-19-13-27-39(57-19)41-37(55-45(27)7-3-1-4-8-45)43-44(59-41)38-42(60-43)40-28(46(56-38)9-5-2-6-10-46)14-20(58-40)12-26-35(53)23-17-31(49)32(50)18-24(23)36(26)54;47-33-25-11-3-4-12-26(25)34(48)29(33)19-23-21-31-39(53-23)41-37(51-45(31)15-7-1-8-16-45)43-44(55-41)38-42(56-43)40-32(46(52-38)17-9-2-10-18-46)22-24(54-40)20-30-35(49)27-13-5-6-14-28(27)36(30)50;49-35-25-11-3-4-12-26(25)36(50)29(35)19-23-21-31-39(53-23)41-33(47-45(31)15-7-1-8-16-45)43-44(55-41)34-42(56-43)40-32(46(48-34)17-9-2-10-18-46)22-24(54-40)20-30-37(51)27-13-5-6-14-28(27)38(30)52;1-21-25(39(49)47(3)41(51)27(21)19-45)15-23-17-29-33(55-23)35-31(53-43(29)11-7-5-8-12-43)37-38(57-35)32-36(58-37)34-30(44(54-32)13-9-6-10-14-44)18-24(56-34)16-26-22(2)28(20-46)42(52)48(4)40(26)50;47-31-21-11-3-4-12-22(21)32(48)29(31)45-27-19-25-37(53-27)39-35(51-43(25)15-7-1-8-16-43)41-42(55-39)36-40(56-41)38-26(44(52-36)17-9-2-10-18-44)20-28(54-38)46-30-33(49)23-13-5-6-14-24(23)34(30)50/h11-18H,1-10H2;11-18H,1-10H2;2*3-6,11-14,19-22H,1-2,7-10,15-18H2;15-18H,5-14H2,1-4H3;19-24H,1-18H2/b;;;;25-15-,26-16-;
InChIKeyZWKWMWWEXDIIBB-YWDXAKRJSA-N
MW5140.53 g/mol
LogP73.53
Rot. Bonds12

About CID 165103742

CID 165103742 (PubChem CID 165103742) has the molecular formula C276H198F4N10O32S28 and a molecular weight of 5140.53 g/mol.

Molecular Properties

Compound NameCID 165103742
PubChem CID165103742
Molecular FormulaC276H198F4N10O32S28
Molecular Weight5140.53 g/mol
Exact Mass5134.63
IUPAC Name—
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cc2c(s1)-c1sc3c4c(sc3c1OC21CCCCC1)-c1sc(/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1C1(CCCCC1)O4.N#Cc1cc2c(cc1C#N)C(=O)C(=Cc1cc3c(s1)-c1sc4c5c(sc4c1OC31CCCCC1)-c1sc(C=C3C(=O)c4cc(C#N)c(C#N)cc4C3=O)cc1C1(CCCCC1)O5)C2=O.O=C1C(=Cc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)cc2C2(CCCCC2)O5)C(=O)c2cc(F)c(F)cc21.O=C1C(=Cc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(C=C3C(=O)c4ccccc4C3=O)cc2C2(CCCCC2)O5)C(=O)c2ccccc21.O=C1C(=Nc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(N=C3C(=O)C4CCCCC4C3=O)cc2C2(CCCCC2)O5)C(=O)C2CCCCC12.S=C1C(=Cc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(C=C3C(=S)c4ccccc4C3=S)cc2C2(CCCCC2)O5)C(=S)c2ccccc21
InChIInChI=1S/C50H28N4O6S4.C46H28F4O6S4.C46H32O6S4.C46H32O2S8.C44H36N4O6S4.C44H42N2O6S4/c51-19-23-11-29-30(12-24(23)20-52)38(56)33(37(29)55)15-27-17-35-43(61-27)45-41(59-49(35)7-3-1-4-8-49)47-48(63-45)42-46(64-47)44-36(50(60-42)9-5-2-6-10-50)18-28(62-44)16-34-39(57)31-13-25(21-53)26(22-54)14-32(31)40(34)58;47-29-15-21-22(16-30(29)48)34(52)25(33(21)51)11-19-13-27-39(57-19)41-37(55-45(27)7-3-1-4-8-45)43-44(59-41)38-42(60-43)40-28(46(56-38)9-5-2-6-10-46)14-20(58-40)12-26-35(53)23-17-31(49)32(50)18-24(23)36(26)54;47-33-25-11-3-4-12-26(25)34(48)29(33)19-23-21-31-39(53-23)41-37(51-45(31)15-7-1-8-16-45)43-44(55-41)38-42(56-43)40-32(46(52-38)17-9-2-10-18-46)22-24(54-40)20-30-35(49)27-13-5-6-14-28(27)36(30)50;49-35-25-11-3-4-12-26(25)36(50)29(35)19-23-21-31-39(53-23)41-33(47-45(31)15-7-1-8-16-45)43-44(55-41)34-42(56-43)40-32(46(48-34)17-9-2-10-18-46)22-24(54-40)20-30-37(51)27-13-5-6-14-28(27)38(30)52;1-21-25(39(49)47(3)41(51)27(21)19-45)15-23-17-29-33(55-23)35-31(53-43(29)11-7-5-8-12-43)37-38(57-35)32-36(58-37)34-30(44(54-32)13-9-6-10-14-44)18-24(56-34)16-26-22(2)28(20-46)42(52)48(4)40(26)50;47-31-21-11-3-4-12-22(21)32(48)29(31)45-27-19-25-37(53-27)39-35(51-43(25)15-7-1-8-16-43)41-42(55-39)36-40(56-41)38-26(44(52-36)17-9-2-10-18-44)20-28(54-38)46-30-33(49)23-13-5-6-14-24(23)34(30)50/h11-18H,1-10H2;11-18H,1-10H2;2*3-6,11-14,19-22H,1-2,7-10,15-18H2;15-18H,5-14H2,1-4H3;19-24H,1-18H2/b;;;;25-15-,26-16-;
InChIKeyZWKWMWWEXDIIBB-YWDXAKRJSA-N
XLogP73.53
TPSA626.10 Ų
H-Bond Donors
H-Bond Acceptors68
Rotatable Bonds12
Heavy Atoms350
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005140.53
LogP ≤ 573.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1068

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Related Compounds

2-[[4-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]spiro[3,7,10-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-14,1'-cyclohexane]-11-yl]methylidene]indene-1,3-dithione;2-[[4-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,7,10-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-14,1'-cyclohexane]-11-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[4-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]spiro[3,7,10-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-14,1'-cyclohexane]-11-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,7,10-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-14,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,7,10-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-14,1'-cyclohexane]-11-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[4-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,7,10-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-14,1'-cyclohexane]-11-yl]methylidene]indene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[3,7,10-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-14,1'-cyclohexane]-11-yl]methylidene]indene-1,2-dione
CID 165110982
2-[[10-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[10-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione
CID 165064104
CID 167051544
CID 167051544
2-[[6-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-17,17-dimethyl-3,7,10,13-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-dithione;N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]thiophen-2-yl]-17,17-dimethyl-3,7,10,13-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[6-[(5,6-difluoro-1,3-dioxoinden-2-ylidene)methyl]-17,17-dimethyl-3,7,10,13-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]-5,6-difluoroindene-1,3-dione;2-[[14-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-17,17-dimethyl-3,7,10,13-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[6-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17,17-dimethyl-3,7,10,13-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]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-17,17-dimethyl-3,7,10,13-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]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-17,17-dimethyl-3,7,10,13-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]cyclopenta[b]naphthalene-1,3-dione
CID 164978503
2-[[12-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]spiro[8-oxa-3,11,15-trithiatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),2(6),4,10(14),12-pentaene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile
CID 164759180
CID 165103401
CID 165103401
2-[[4-[[1,3-bis(sulfanylidene)inden-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]indene-1,3-dithione;2-[[4-[(5,6-dicyano-1,3-dioxoinden-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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]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]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[4-[(1,3-dioxoinden-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]indene-1,3-dione;(3Z)-3-[[4-[(Z)-(2,3-dioxoinden-1-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]indene-1,2-dione;(3Z)-3-[[4-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-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]-6-(trifluoromethyl)indene-1,2-dione
CID 164970547
CID 165055220
CID 165055220
(5E)-5-[[4-[(E)-(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]spiro[3,7,10-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-14,1'-cyclohexane]-11-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
CID 165051682
2-[[10-[(5,6-dicyano-1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;(3Z)-3-[[10-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[10-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,11-dithia-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]methylidene]indene-1,3-dione
CID 164999089
CID 165009334
CID 165009334
CID 164991744
CID 164991744

Frequently Asked Questions

What is the IUPAC name of CID 165103742?
The IUPAC name of CID 165103742 (CID 165103742) is not available.
What is the SMILES notation for CID 165103742?
The canonical SMILES for CID 165103742 is CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cc2c(s1)-c1sc3c4c(sc3c1OC21CCCCC1)-c1sc(/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1C1(CCCCC1)O4.N#Cc1cc2c(cc1C#N)C(=O)C(=Cc1cc3c(s1)-c1sc4c5c(sc4c1OC31CCCCC1)-c1sc(C=C3C(=O)c4cc(C#N)c(C#N)cc4C3=O)cc1C1(CCCCC1)O5)C2=O.O=C1C(=Cc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)cc2C2(CCCCC2)O5)C(=O)c2cc(F)c(F)cc21.O=C1C(=Cc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(C=C3C(=O)c4ccccc4C3=O)cc2C2(CCCCC2)O5)C(=O)c2ccccc21.O=C1C(=Nc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(N=C3C(=O)C4CCCCC4C3=O)cc2C2(CCCCC2)O5)C(=O)C2CCCCC12.S=C1C(=Cc2cc3c(s2)-c2sc4c5c(sc4c2OC32CCCCC2)-c2sc(C=C3C(=S)c4ccccc4C3=S)cc2C2(CCCCC2)O5)C(=S)c2ccccc21.
What is the InChIKey of CID 165103742?
The InChIKey is ZWKWMWWEXDIIBB-YWDXAKRJSA-N. The full InChI is InChI=1S/C50H28N4O6S4.C46H28F4O6S4.C46H32O6S4.C46H32O2S8.C44H36N4O6S4.C44H42N2O6S4/c51-19-23-11-29-30(12-24(23)20-52)38(56)33(37(29)55)15-27-17-35-43(61-27)45-41(59-49(35)7-3-1-4-8-49)47-48(63-45)42-46(64-47)44-36(50(60-42)9-5-2-6-10-50)18-28(62-44)16-34-39(57)31-13-25(21-53)26(22-54)14-32(31)40(34)58;47-29-15-21-22(16-30(29)48)34(52)25(33(21)51)11-19-13-27-39(57-19)41-37(55-45(27)7-3-1-4-8-45)43-44(59-41)38-42(60-43)40-28(46(56-38)9-5-2-6-10-46)14-20(58-40)12-26-35(53)23-17-31(49)32(50)18-24(23)36(26)54;47-33-25-11-3-4-12-26(25)34(48)29(33)19-23-21-31-39(53-23)41-37(51-45(31)15-7-1-8-16-45)43-44(55-41)38-42(56-43)40-32(46(52-38)17-9-2-10-18-46)22-24(54-40)20-30-35(49)27-13-5-6-14-28(27)36(30)50;49-35-25-11-3-4-12-26(25)36(50)29(35)19-23-21-31-39(53-23)41-33(47-45(31)15-7-1-8-16-45)43-44(55-41)34-42(56-43)40-32(46(48-34)17-9-2-10-18-46)22-24(54-40)20-30-37(51)27-13-5-6-14-28(27)38(30)52;1-21-25(39(49)47(3)41(51)27(21)19-45)15-23-17-29-33(55-23)35-31(53-43(29)11-7-5-8-12-43)37-38(57-35)32-36(58-37)34-30(44(54-32)13-9-6-10-14-44)18-24(56-34)16-26-22(2)28(20-46)42(52)48(4)40(26)50;47-31-21-11-3-4-12-22(21)32(48)29(31)45-27-19-25-37(53-27)39-35(51-43(25)15-7-1-8-16-43)41-42(55-39)36-40(56-41)38-26(44(52-36)17-9-2-10-18-44)20-28(54-38)46-30-33(49)23-13-5-6-14-24(23)34(30)50/h11-18H,1-10H2;11-18H,1-10H2;2*3-6,11-14,19-22H,1-2,7-10,15-18H2;15-18H,5-14H2,1-4H3;19-24H,1-18H2/b;;;;25-15-,26-16-;.
What are the key properties of CID 165103742?
CID 165103742 has a molecular weight of 5140.53 g/mol, XLogP of 73.53, 12 rotatable bonds, 0 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165103742 is sourced from PubChem (CID 165103742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).