9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine

C200H168N10O2S10 — CID 161260561

IUPAC9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine
SMILESCC(C)C1CCN(c2ccc3cc4c(cc3c2)sc2c4ccc3c4cc5ccc(N6CCC(C(C)C)CC6)cc5cc4sc32)CC1.CC1CCN(c2ccc3cc4c(cc3c2)sc2c4ccc3c4cc5ccc(N6CCC(C)CC6)cc5cc4sc32)CC1.c1cc2cc3c(cc2cc1N1CCCCC1)sc1c3ccc2c3cc4ccc(N5CCCCC5)cc4cc3sc21.c1cc2cc3c(cc2cc1N1CCOCC1)sc1c3ccc2c3cc4ccc(N5CCOCC5)cc4cc3sc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2cc3c(cc2c1)sc1c3ccc2c3cc4ccc(-n5c6ccccc6c6ccccc65)cc4cc3sc21
InChIInChI=1S/C50H28N2S2.C42H44N2S2.C38H36N2S2.C36H32N2S2.C34H28N2O2S2/c1-5-13-43-35(9-1)36-10-2-6-14-44(36)51(43)33-19-17-29-25-41-39-21-22-40-42-26-30-18-20-34(52-45-15-7-3-11-37(45)38-12-4-8-16-46(38)52)24-32(30)28-48(42)54-50(40)49(39)53-47(41)27-31(29)23-33;1-25(2)27-11-15-43(16-12-27)33-7-5-29-21-37-35-9-10-36-38-22-30-6-8-34(44-17-13-28(14-18-44)26(3)4)20-32(30)24-40(38)46-42(36)41(35)45-39(37)23-31(29)19-33;1-23-9-13-39(14-10-23)29-5-3-25-19-33-31-7-8-32-34-20-26-4-6-30(40-15-11-24(2)12-16-40)18-28(26)22-36(34)42-38(32)37(31)41-35(33)21-27(25)17-29;1-3-13-37(14-4-1)27-9-7-23-19-31-29-11-12-30-32-20-24-8-10-28(38-15-5-2-6-16-38)18-26(24)22-34(32)40-36(30)35(29)39-33(31)21-25(23)17-27;1-3-25(35-7-11-37-12-8-35)15-23-19-31-29(17-21(1)23)27-5-6-28-30-18-22-2-4-26(36-9-13-38-14-10-36)16-24(22)20-32(30)40-34(28)33(27)39-31/h1-28H;5-10,19-28H,11-18H2,1-4H3;3-8,17-24H,9-16H2,1-2H3;7-12,17-22H,1-6,13-16H2;1-6,15-20H,7-14H2
InChIKeyVCMLNLFWWBRAAC-UHFFFAOYSA-N
MW3064.28 g/mol
LogP57.71
Rot. Bonds12

About 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine

9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine (PubChem CID 161260561) has the molecular formula C200H168N10O2S10 and a molecular weight of 3064.28 g/mol. Its IUPAC name is 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine.

Molecular Properties

Compound Name9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine
PubChem CID161260561
Molecular FormulaC200H168N10O2S10
Molecular Weight3064.28 g/mol
Exact Mass3061.06
IUPAC Name9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine
SMILESCC(C)C1CCN(c2ccc3cc4c(cc3c2)sc2c4ccc3c4cc5ccc(N6CCC(C(C)C)CC6)cc5cc4sc32)CC1.CC1CCN(c2ccc3cc4c(cc3c2)sc2c4ccc3c4cc5ccc(N6CCC(C)CC6)cc5cc4sc32)CC1.c1cc2cc3c(cc2cc1N1CCCCC1)sc1c3ccc2c3cc4ccc(N5CCCCC5)cc4cc3sc21.c1cc2cc3c(cc2cc1N1CCOCC1)sc1c3ccc2c3cc4ccc(N5CCOCC5)cc4cc3sc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2cc3c(cc2c1)sc1c3ccc2c3cc4ccc(-n5c6ccccc6c6ccccc65)cc4cc3sc21
InChIInChI=1S/C50H28N2S2.C42H44N2S2.C38H36N2S2.C36H32N2S2.C34H28N2O2S2/c1-5-13-43-35(9-1)36-10-2-6-14-44(36)51(43)33-19-17-29-25-41-39-21-22-40-42-26-30-18-20-34(52-45-15-7-3-11-37(45)38-12-4-8-16-46(38)52)24-32(30)28-48(42)54-50(40)49(39)53-47(41)27-31(29)23-33;1-25(2)27-11-15-43(16-12-27)33-7-5-29-21-37-35-9-10-36-38-22-30-6-8-34(44-17-13-28(14-18-44)26(3)4)20-32(30)24-40(38)46-42(36)41(35)45-39(37)23-31(29)19-33;1-23-9-13-39(14-10-23)29-5-3-25-19-33-31-7-8-32-34-20-26-4-6-30(40-15-11-24(2)12-16-40)18-28(26)22-36(34)42-38(32)37(31)41-35(33)21-27(25)17-29;1-3-13-37(14-4-1)27-9-7-23-19-31-29-11-12-30-32-20-24-8-10-28(38-15-5-2-6-16-38)18-26(24)22-34(32)40-36(30)35(29)39-33(31)21-25(23)17-27;1-3-25(35-7-11-37-12-8-35)15-23-19-31-29(17-21(1)23)27-5-6-28-30-18-22-2-4-26(36-9-13-38-14-10-36)16-24(22)20-32(30)40-34(28)33(27)39-31/h1-28H;5-10,19-28H,11-18H2,1-4H3;3-8,17-24H,9-16H2,1-2H3;7-12,17-22H,1-6,13-16H2;1-6,15-20H,7-14H2
InChIKeyVCMLNLFWWBRAAC-UHFFFAOYSA-N
XLogP57.71
TPSA54.24 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003064.28
LogP ≤ 557.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine with MolForge

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Related Compounds

9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole
CID 158122040
1-(23-piperidin-1-yl-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl)piperidine
CID 155361898
4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl]piperidine
CID 155361416
1-(23-piperidin-1-yl-13,18-dithiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl)piperidine
CID 153251770
12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 167193290
methylcyclohexane;1-phenylpiperidine
CID 174582589
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243986
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
4-(1-cyclohexyl-1-deuterioethyl)-2-naphtho[2,3-b][1]benzothiol-4-ylpyridine
CID 165170629
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9-naphthalen-2-ylcarbazole
CID 163886851
5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118581057
9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole
CID 90347227

Frequently Asked Questions

What is the IUPAC name of 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine?
The IUPAC name of 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine (CID 161260561) is 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine.
What is the SMILES notation for 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine?
The canonical SMILES for 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine is CC(C)C1CCN(c2ccc3cc4c(cc3c2)sc2c4ccc3c4cc5ccc(N6CCC(C(C)C)CC6)cc5cc4sc32)CC1.CC1CCN(c2ccc3cc4c(cc3c2)sc2c4ccc3c4cc5ccc(N6CCC(C)CC6)cc5cc4sc32)CC1.c1cc2cc3c(cc2cc1N1CCCCC1)sc1c3ccc2c3cc4ccc(N5CCCCC5)cc4cc3sc21.c1cc2cc3c(cc2cc1N1CCOCC1)sc1c3ccc2c3cc4ccc(N5CCOCC5)cc4cc3sc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2cc3c(cc2c1)sc1c3ccc2c3cc4ccc(-n5c6ccccc6c6ccccc65)cc4cc3sc21.
What is the InChIKey of 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine?
The InChIKey is VCMLNLFWWBRAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N2S2.C42H44N2S2.C38H36N2S2.C36H32N2S2.C34H28N2O2S2/c1-5-13-43-35(9-1)36-10-2-6-14-44(36)51(43)33-19-17-29-25-41-39-21-22-40-42-26-30-18-20-34(52-45-15-7-3-11-37(45)38-12-4-8-16-46(38)52)24-32(30)28-48(42)54-50(40)49(39)53-47(41)27-31(29)23-33;1-25(2)27-11-15-43(16-12-27)33-7-5-29-21-37-35-9-10-36-38-22-30-6-8-34(44-17-13-28(14-18-44)26(3)4)20-32(30)24-40(38)46-42(36)41(35)45-39(37)23-31(29)19-33;1-23-9-13-39(14-10-23)29-5-3-25-19-33-31-7-8-32-34-20-26-4-6-30(40-15-11-24(2)12-16-40)18-28(26)22-36(34)42-38(32)37(31)41-35(33)21-27(25)17-29;1-3-13-37(14-4-1)27-9-7-23-19-31-29-11-12-30-32-20-24-8-10-28(38-15-5-2-6-16-38)18-26(24)22-34(32)40-36(30)35(29)39-33(31)21-25(23)17-27;1-3-25(35-7-11-37-12-8-35)15-23-19-31-29(17-21(1)23)27-5-6-28-30-18-22-2-4-26(36-9-13-38-14-10-36)16-24(22)20-32(30)40-34(28)33(27)39-31/h1-28H;5-10,19-28H,11-18H2,1-4H3;3-8,17-24H,9-16H2,1-2H3;7-12,17-22H,1-6,13-16H2;1-6,15-20H,7-14H2.
What are the key properties of 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine?
9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine has a molecular weight of 3064.28 g/mol, XLogP of 57.71, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(23-carbazol-9-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)carbazole;4-methyl-1-[23-(4-methylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine;4-(23-morpholin-4-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)morpholine;1-(23-piperidin-1-yl-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-8-yl]piperidine is sourced from PubChem (CID 161260561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).