CID 165025305

C324H254F8N26O28S22 — CID 165025305

IUPAC—
SMILESCCN1C(=O)/C(=C/c2nc3c(s2)C2=C(c4sc(/C=C5\SC(=S)N(CC)C5=O)nc4C24CCCCC4)C32CCCCC2)SC1=S.CCn1c(=C(C#N)C#N)s/c(=C/c2nc3c(s2)C2=C(c4sc(/C=c5/sc(=C(C#N)C#N)n(CC)c5=O)nc4C24CCCCC4)C32CCCCC2)c1=O.O=C1C(=Cc2nc3c(s2)C2=C(c4sc(C=C5C(=O)c6cc7cc(F)c(F)cc7cc6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)c2cc3cc(F)c(F)cc3cc21.O=C1C(=Cc2nc3c(s2)C2=C(c4sc(C=C5C(=O)c6cc7ccccc7cc6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2nc3c(s2)C2=C(c4sc(C=C5C(=O)c6ccccc6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)c2ccccc21.O=C1C(=Nc2nc3c(s2)C2=C(c4sc(N=C5C(=O)C6CCCCC6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)C2CCCCC12.O=C1C(=O)c2c(F)cc(F)cc2/C1=C/c1nc2c(s1)C1=C(c3sc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)nc3C13CCCCC3)C21CCCCC1.O=C1C(=O)c2ccccc2/C1=C/c1nc2c(s1)C1=C(c3sc(/C=C4\C(=O)C(=O)c5ccccc54)nc3C13CCCCC3)C21CCCCC1
InChIInChI=1S/C48H30F4N2O4S2.C48H34N2O4S2.C40H26F4N2O4S2.2C40H30N2O4S2.C38H32N8O2S4.C38H40N4O4S2.C32H32N4O2S6/c49-31-15-21-11-25-26(12-22(21)16-32(31)50)40(56)29(39(25)55)19-35-53-45-44(60-35)38-37(47(45)7-3-1-4-8-47)43-46(48(38)9-5-2-6-10-48)54-36(59-43)20-30-41(57)27-13-23-17-33(51)34(52)18-24(23)14-28(27)42(30)58;51-39-29-19-25-11-3-4-12-26(25)20-30(29)40(52)33(39)23-35-49-45-44(56-35)38-37(47(45)15-7-1-8-16-47)43-46(48(38)17-9-2-10-18-48)50-36(55-43)24-34-41(53)31-21-27-13-5-6-14-28(27)22-32(31)42(34)54;41-17-11-19-21(31(47)33(49)27(19)23(43)13-17)15-25-45-37-36(52-25)30-29(39(37)7-3-1-4-8-39)35-38(40(30)9-5-2-6-10-40)46-26(51-35)16-22-20-12-18(42)14-24(44)28(20)34(50)32(22)48;43-31-23-13-5-3-11-21(23)25(33(31)45)19-27-41-37-36(48-27)30-29(39(37)15-7-1-8-16-39)35-38(40(30)17-9-2-10-18-40)42-28(47-35)20-26-22-12-4-6-14-24(22)32(44)34(26)46;43-31-21-11-3-4-12-22(21)32(44)25(31)19-27-41-37-36(48-27)30-29(39(37)15-7-1-8-16-39)35-38(40(30)17-9-2-10-18-40)42-28(47-35)20-26-33(45)23-13-5-6-14-24(23)34(26)46;1-3-45-33(47)23(49-35(45)21(17-39)18-40)15-25-43-31-29(51-25)27-28(37(31)11-7-5-8-12-37)30-32(38(27)13-9-6-10-14-38)44-26(52-30)16-24-34(48)46(4-2)36(50-24)22(19-41)20-42;43-27-19-11-3-4-12-20(19)28(44)25(27)39-35-41-33-32(48-35)24-23(37(33)15-7-1-8-16-37)31-34(38(24)17-9-2-10-18-38)42-36(47-31)40-26-29(45)21-13-5-6-14-22(21)30(26)46;1-3-35-27(37)17(41-29(35)39)15-19-33-25-23(43-19)21-22(31(25)11-7-5-8-12-31)24-26(32(21)13-9-6-10-14-32)34-20(44-24)16-18-28(38)36(4-2)30(40)42-18/h11-20H,1-10H2;3-6,11-14,19-24H,1-2,7-10,15-18H2;11-16H,1-10H2;2*3-6,11-14,19-20H,1-2,7-10,15-18H2;15-16H,3-14H2,1-2H3;19-22H,1-18H2;15-16H,3-14H2,1-2H3/b;;21-15-,22-16-;25-19-,26-20-;;23-15+,24-16+;;17-15-,18-16-
InChIKeySVHIFWHMKBRMBX-ATAUJDSDSA-N
MW5817.21 g/mol
LogP70.30
Rot. Bonds20

About CID 165025305

CID 165025305 (PubChem CID 165025305) has the molecular formula C324H254F8N26O28S22 and a molecular weight of 5817.21 g/mol.

Molecular Properties

Compound NameCID 165025305
PubChem CID165025305
Molecular FormulaC324H254F8N26O28S22
Molecular Weight5817.21 g/mol
Exact Mass5811.30
IUPAC Name—
SMILESCCN1C(=O)/C(=C/c2nc3c(s2)C2=C(c4sc(/C=C5\SC(=S)N(CC)C5=O)nc4C24CCCCC4)C32CCCCC2)SC1=S.CCn1c(=C(C#N)C#N)s/c(=C/c2nc3c(s2)C2=C(c4sc(/C=c5/sc(=C(C#N)C#N)n(CC)c5=O)nc4C24CCCCC4)C32CCCCC2)c1=O.O=C1C(=Cc2nc3c(s2)C2=C(c4sc(C=C5C(=O)c6cc7cc(F)c(F)cc7cc6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)c2cc3cc(F)c(F)cc3cc21.O=C1C(=Cc2nc3c(s2)C2=C(c4sc(C=C5C(=O)c6cc7ccccc7cc6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2nc3c(s2)C2=C(c4sc(C=C5C(=O)c6ccccc6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)c2ccccc21.O=C1C(=Nc2nc3c(s2)C2=C(c4sc(N=C5C(=O)C6CCCCC6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)C2CCCCC12.O=C1C(=O)c2c(F)cc(F)cc2/C1=C/c1nc2c(s1)C1=C(c3sc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)nc3C13CCCCC3)C21CCCCC1.O=C1C(=O)c2ccccc2/C1=C/c1nc2c(s1)C1=C(c3sc(/C=C4\C(=O)C(=O)c5ccccc54)nc3C13CCCCC3)C21CCCCC1
InChIInChI=1S/C48H30F4N2O4S2.C48H34N2O4S2.C40H26F4N2O4S2.2C40H30N2O4S2.C38H32N8O2S4.C38H40N4O4S2.C32H32N4O2S6/c49-31-15-21-11-25-26(12-22(21)16-32(31)50)40(56)29(39(25)55)19-35-53-45-44(60-35)38-37(47(45)7-3-1-4-8-47)43-46(48(38)9-5-2-6-10-48)54-36(59-43)20-30-41(57)27-13-23-17-33(51)34(52)18-24(23)14-28(27)42(30)58;51-39-29-19-25-11-3-4-12-26(25)20-30(29)40(52)33(39)23-35-49-45-44(56-35)38-37(47(45)15-7-1-8-16-47)43-46(48(38)17-9-2-10-18-48)50-36(55-43)24-34-41(53)31-21-27-13-5-6-14-28(27)22-32(31)42(34)54;41-17-11-19-21(31(47)33(49)27(19)23(43)13-17)15-25-45-37-36(52-25)30-29(39(37)7-3-1-4-8-39)35-38(40(30)9-5-2-6-10-40)46-26(51-35)16-22-20-12-18(42)14-24(44)28(20)34(50)32(22)48;43-31-23-13-5-3-11-21(23)25(33(31)45)19-27-41-37-36(48-27)30-29(39(37)15-7-1-8-16-39)35-38(40(30)17-9-2-10-18-40)42-28(47-35)20-26-22-12-4-6-14-24(22)32(44)34(26)46;43-31-21-11-3-4-12-22(21)32(44)25(31)19-27-41-37-36(48-27)30-29(39(37)15-7-1-8-16-39)35-38(40(30)17-9-2-10-18-40)42-28(47-35)20-26-33(45)23-13-5-6-14-24(23)34(26)46;1-3-45-33(47)23(49-35(45)21(17-39)18-40)15-25-43-31-29(51-25)27-28(37(31)11-7-5-8-12-37)30-32(38(27)13-9-6-10-14-38)44-26(52-30)16-24-34(48)46(4-2)36(50-24)22(19-41)20-42;43-27-19-11-3-4-12-20(19)28(44)25(27)39-35-41-33-32(48-35)24-23(37(33)15-7-1-8-16-37)31-34(38(24)17-9-2-10-18-38)42-36(47-31)40-26-29(45)21-13-5-6-14-22(21)30(26)46;1-3-35-27(37)17(41-29(35)39)15-19-33-25-23(43-19)21-22(31(25)11-7-5-8-12-31)24-26(32(21)13-9-6-10-14-32)34-20(44-24)16-18-28(38)36(4-2)30(40)42-18/h11-20H,1-10H2;3-6,11-14,19-24H,1-2,7-10,15-18H2;11-16H,1-10H2;2*3-6,11-14,19-20H,1-2,7-10,15-18H2;15-16H,3-14H2,1-2H3;19-22H,1-18H2;15-16H,3-14H2,1-2H3/b;;21-15-,22-16-;25-19-,26-20-;;23-15+,24-16+;;17-15-,18-16-
InChIKeySVHIFWHMKBRMBX-ATAUJDSDSA-N
XLogP70.30
TPSA820.42 Ų
H-Bond Donors
H-Bond Acceptors74
Rotatable Bonds20
Heavy Atoms408
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005817.21
LogP ≤ 570.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1074

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Related Compounds

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
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 165000257
CID 165000257
CID 165103401
CID 165103401
CID 165070311
CID 165070311
2-[(2Z)-2-[[16-[(Z)-[1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]spiro[5,17-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene-11,1'-cyclohexane]-6-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile;2-[(2Z)-2-[[16-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]spiro[5,17-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene-11,1'-cyclohexane]-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile;(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]spiro[5,17-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene-11,1'-cyclohexane]-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]spiro[5,17-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene-11,1'-cyclohexane]-6-yl]imino-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]spiro[5,17-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene-11,1'-cyclohexane]-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]spiro[5,17-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene-11,1'-cyclohexane]-6-yl]methylidene]indene-1,2-dione
CID 165100394
2-[[11-[(E)-2-cyano-2-isocyanoethenyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-4-yl]methylidene]propanedinitrile;N-[4-(dicyanomethylideneamino)spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-11-yl]-1-isocyanomethanimidoyl cyanide;(3Z)-3-[[4-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[11-[(5,6-diisocyano-1,3-dioxoinden-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-4-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-8,8-dimethyl-7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[4-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[4-[(1,3-dioxoinden-2-ylidene)methyl]-8,8-dimethyl-7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]methylidene]indene-1,3-dione;(5Z)-5-[[11-[(Z)-(5-isocyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]spiro[7-oxa-3,12-dithia-5,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-8,1'-cyclohexane]-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
CID 165105587
CID 165055220
CID 165055220
(3Z)-3-[[16-[(Z)-(4,6-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-5,7-difluoroindene-1,2-dione;2-[[16-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]indene-1,2-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-methylindene-1,2-dione;3-ethyl-5-[[16-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-10,10,20,20-tetramethyl-9,19-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 164948449
CID 164759188
CID 164759188
CID 164995919
CID 164995919
2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-10,10-dimethyl-3,7,13,17-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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[14-[(Z)-(5,7-difluoro-2,3-dioxoinden-1-ylidene)methyl]-10,10-dimethyl-3,7,13,17-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]-5,7-difluoroindene-1,2-dione;2-[[14-[(1,3-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalen-2-ylidene)amino]-10,10-dimethyl-3,7,13,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10-dimethyl-3,7,13,17-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]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-10,10-dimethyl-3,7,13,17-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]cyclopenta[b]naphthalene-1,3-dione
CID 165003665

Frequently Asked Questions

What is the IUPAC name of CID 165025305?
The IUPAC name of CID 165025305 (CID 165025305) is not available.
What is the SMILES notation for CID 165025305?
The canonical SMILES for CID 165025305 is CCN1C(=O)/C(=C/c2nc3c(s2)C2=C(c4sc(/C=C5\SC(=S)N(CC)C5=O)nc4C24CCCCC4)C32CCCCC2)SC1=S.CCn1c(=C(C#N)C#N)s/c(=C/c2nc3c(s2)C2=C(c4sc(/C=c5/sc(=C(C#N)C#N)n(CC)c5=O)nc4C24CCCCC4)C32CCCCC2)c1=O.O=C1C(=Cc2nc3c(s2)C2=C(c4sc(C=C5C(=O)c6cc7cc(F)c(F)cc7cc6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)c2cc3cc(F)c(F)cc3cc21.O=C1C(=Cc2nc3c(s2)C2=C(c4sc(C=C5C(=O)c6cc7ccccc7cc6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2nc3c(s2)C2=C(c4sc(C=C5C(=O)c6ccccc6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)c2ccccc21.O=C1C(=Nc2nc3c(s2)C2=C(c4sc(N=C5C(=O)C6CCCCC6C5=O)nc4C24CCCCC4)C32CCCCC2)C(=O)C2CCCCC12.O=C1C(=O)c2c(F)cc(F)cc2/C1=C/c1nc2c(s1)C1=C(c3sc(/C=C4\C(=O)C(=O)c5c(F)cc(F)cc54)nc3C13CCCCC3)C21CCCCC1.O=C1C(=O)c2ccccc2/C1=C/c1nc2c(s1)C1=C(c3sc(/C=C4\C(=O)C(=O)c5ccccc54)nc3C13CCCCC3)C21CCCCC1.
What is the InChIKey of CID 165025305?
The InChIKey is SVHIFWHMKBRMBX-ATAUJDSDSA-N. The full InChI is InChI=1S/C48H30F4N2O4S2.C48H34N2O4S2.C40H26F4N2O4S2.2C40H30N2O4S2.C38H32N8O2S4.C38H40N4O4S2.C32H32N4O2S6/c49-31-15-21-11-25-26(12-22(21)16-32(31)50)40(56)29(39(25)55)19-35-53-45-44(60-35)38-37(47(45)7-3-1-4-8-47)43-46(48(38)9-5-2-6-10-48)54-36(59-43)20-30-41(57)27-13-23-17-33(51)34(52)18-24(23)14-28(27)42(30)58;51-39-29-19-25-11-3-4-12-26(25)20-30(29)40(52)33(39)23-35-49-45-44(56-35)38-37(47(45)15-7-1-8-16-47)43-46(48(38)17-9-2-10-18-48)50-36(55-43)24-34-41(53)31-21-27-13-5-6-14-28(27)22-32(31)42(34)54;41-17-11-19-21(31(47)33(49)27(19)23(43)13-17)15-25-45-37-36(52-25)30-29(39(37)7-3-1-4-8-39)35-38(40(30)9-5-2-6-10-40)46-26(51-35)16-22-20-12-18(42)14-24(44)28(20)34(50)32(22)48;43-31-23-13-5-3-11-21(23)25(33(31)45)19-27-41-37-36(48-27)30-29(39(37)15-7-1-8-16-39)35-38(40(30)17-9-2-10-18-40)42-28(47-35)20-26-22-12-4-6-14-24(22)32(44)34(26)46;43-31-21-11-3-4-12-22(21)32(44)25(31)19-27-41-37-36(48-27)30-29(39(37)15-7-1-8-16-39)35-38(40(30)17-9-2-10-18-40)42-28(47-35)20-26-33(45)23-13-5-6-14-24(23)34(26)46;1-3-45-33(47)23(49-35(45)21(17-39)18-40)15-25-43-31-29(51-25)27-28(37(31)11-7-5-8-12-37)30-32(38(27)13-9-6-10-14-38)44-26(52-30)16-24-34(48)46(4-2)36(50-24)22(19-41)20-42;43-27-19-11-3-4-12-20(19)28(44)25(27)39-35-41-33-32(48-35)24-23(37(33)15-7-1-8-16-37)31-34(38(24)17-9-2-10-18-38)42-36(47-31)40-26-29(45)21-13-5-6-14-22(21)30(26)46;1-3-35-27(37)17(41-29(35)39)15-19-33-25-23(43-19)21-22(31(25)11-7-5-8-12-31)24-26(32(21)13-9-6-10-14-32)34-20(44-24)16-18-28(38)36(4-2)30(40)42-18/h11-20H,1-10H2;3-6,11-14,19-24H,1-2,7-10,15-18H2;11-16H,1-10H2;2*3-6,11-14,19-20H,1-2,7-10,15-18H2;15-16H,3-14H2,1-2H3;19-22H,1-18H2;15-16H,3-14H2,1-2H3/b;;21-15-,22-16-;25-19-,26-20-;;23-15+,24-16+;;17-15-,18-16-.
What are the key properties of CID 165025305?
CID 165025305 has a molecular weight of 5817.21 g/mol, XLogP of 70.30, 20 rotatable bonds, 0 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165025305 is sourced from PubChem (CID 165025305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).