4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene

C128H68N4S8 — CID 157071521

IUPAC4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene
SMILESc1ccc2c(c1)cn1c2c2cc3c(cc2c2ccc4sc5ccccc5c4c21)sc1ccccc13.c1ccc2c(c1)cn1c2c2cc3sc4ccccc4c3cc2c2ccc3sc4ccccc4c3c21.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3ccc4c5ccccc5sc4c3c21.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3ccc4sc5ccccc5c4c3c21
InChIInChI=1S/4C32H17NS2/c1-2-8-19-18(7-1)17-33-25-16-15-23-21-10-4-5-11-26(21)34-31(23)28(25)24-14-13-22-20-9-3-6-12-27(20)35-32(22)29(24)30(19)33;1-2-8-19-18(7-1)17-33-24-15-13-21-20-9-3-5-11-25(20)35-32(21)28(24)23-14-16-27-29(30(23)31(19)33)22-10-4-6-12-26(22)34-27;1-2-8-19-18(7-1)17-33-31(19)25-15-24-20-9-3-5-11-26(20)35-29(24)16-23(25)21-13-14-28-30(32(21)33)22-10-4-6-12-27(22)34-28;1-2-8-19-18(7-1)17-33-31(19)25-16-29-24(20-9-3-5-11-26(20)35-29)15-23(25)21-13-14-28-30(32(21)33)22-10-4-6-12-27(22)34-28/h4*1-17H
InChIKeyACMIXFRIEMFOEW-UHFFFAOYSA-N
MW1918.52 g/mol
LogP40.54
Rot. Bonds

About 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene

4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene (PubChem CID 157071521) has the molecular formula C128H68N4S8 and a molecular weight of 1918.52 g/mol. Its IUPAC name is 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene.

Molecular Properties

Compound Name4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene
PubChem CID157071521
Molecular FormulaC128H68N4S8
Molecular Weight1918.52 g/mol
Exact Mass1916.32
IUPAC Name4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene
SMILESc1ccc2c(c1)cn1c2c2cc3c(cc2c2ccc4sc5ccccc5c4c21)sc1ccccc13.c1ccc2c(c1)cn1c2c2cc3sc4ccccc4c3cc2c2ccc3sc4ccccc4c3c21.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3ccc4c5ccccc5sc4c3c21.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3ccc4sc5ccccc5c4c3c21
InChIInChI=1S/4C32H17NS2/c1-2-8-19-18(7-1)17-33-25-16-15-23-21-10-4-5-11-26(21)34-31(23)28(25)24-14-13-22-20-9-3-6-12-27(20)35-32(22)29(24)30(19)33;1-2-8-19-18(7-1)17-33-24-15-13-21-20-9-3-5-11-25(20)35-32(21)28(24)23-14-16-27-29(30(23)31(19)33)22-10-4-6-12-26(22)34-27;1-2-8-19-18(7-1)17-33-31(19)25-15-24-20-9-3-5-11-26(20)35-29(24)16-23(25)21-13-14-28-30(32(21)33)22-10-4-6-12-27(22)34-28;1-2-8-19-18(7-1)17-33-31(19)25-16-29-24(20-9-3-5-11-26(20)35-29)15-23(25)21-13-14-28-30(32(21)33)22-10-4-6-12-27(22)34-28/h4*1-17H
InChIKeyACMIXFRIEMFOEW-UHFFFAOYSA-N
XLogP40.54
TPSA17.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001918.52
LogP ≤ 540.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene with MolForge

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Related Compounds

(Z)-N-[(20-fluoro-7-isoquinolin-5-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19-decaen-24-yl)methyl]-1-[3-(methylideneamino)-1-benzothiophen-2-yl]-1-phenylmethanimine
CID 145407845
9-[3,4,6,7,8,9-Hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
CID 146562799
5-[2-[3-([1]Benzothiolo[3,2-c]carbazol-5-yl)pyridin-2-yl]-3-(trifluoromethyl)phenyl]-10-[12-phenyl-5-[2-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(trifluoromethyl)phenyl]pyridin-3-yl]indolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole
CID 156282580
20-dibenzothiophen-4-yl-15-methyl-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;18-methyl-20-(9-phenylcarbazol-2-yl)-10-thia-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;N-phenyl-N-[4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)phenyl]naphthalen-2-amine;20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 160216356
12-[4-([1]Benzothiolo[2,3-a]carbazol-12-yl)-2-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[2-(2,6-difluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 160360389
20-(1-Benzothiophen-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-15-methyl-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;20-(9-phenylcarbazol-4-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-17-carbonitrile;20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161215459
2,7,12,17-Tetrakis(1-methylquinolin-1-ium-6-yl)-21,23-dithia-22,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene tetrachloride
CID 16139614
2,7,12,17-Tetrakis(1-methylquinolin-1-ium-6-yl)-21,23-dithia-22,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene
CID 16139615
2,7,12,17-Tetrakis(1-methylquinolin-1-ium-3-yl)-21,23-dithia-22,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene
CID 16141393
2,7,12,17-Tetra(quinolin-6-yl)-21,23-dithia-22,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene
CID 16160088
8-[8-(3-Carbazol-9-ylphenyl)dibenzothiophen-3-yl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544114
3,6-Ditert-butyl-9-[5-[2-[4-[5-(3,6-ditert-butylcarbazol-9-yl)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl]carbazole;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium(2+);diisothiocyanate
CID 57827859

Frequently Asked Questions

What is the IUPAC name of 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?
The IUPAC name of 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene (CID 157071521) is 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene.
What is the SMILES notation for 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?
The canonical SMILES for 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene is c1ccc2c(c1)cn1c2c2cc3c(cc2c2ccc4sc5ccccc5c4c21)sc1ccccc13.c1ccc2c(c1)cn1c2c2cc3sc4ccccc4c3cc2c2ccc3sc4ccccc4c3c21.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3ccc4c5ccccc5sc4c3c21.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3ccc4sc5ccccc5c4c3c21.
What is the InChIKey of 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?
The InChIKey is ACMIXFRIEMFOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C32H17NS2/c1-2-8-19-18(7-1)17-33-25-16-15-23-21-10-4-5-11-26(21)34-31(23)28(25)24-14-13-22-20-9-3-6-12-27(20)35-32(22)29(24)30(19)33;1-2-8-19-18(7-1)17-33-24-15-13-21-20-9-3-5-11-25(20)35-32(21)28(24)23-14-16-27-29(30(23)31(19)33)22-10-4-6-12-26(22)34-27;1-2-8-19-18(7-1)17-33-31(19)25-15-24-20-9-3-5-11-26(20)35-29(24)16-23(25)21-13-14-28-30(32(21)33)22-10-4-6-12-27(22)34-28;1-2-8-19-18(7-1)17-33-31(19)25-16-29-24(20-9-3-5-11-26(20)35-29)15-23(25)21-13-14-28-30(32(21)33)22-10-4-6-12-27(22)34-28/h4*1-17H.
What are the key properties of 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?
4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene has a molecular weight of 1918.52 g/mol, XLogP of 40.54, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,26-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;4,32-dithia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;19,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;19,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene is sourced from PubChem (CID 157071521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).