5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene

C119H78N10O4S2+4 — CID 157217796

IUPAC5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene
SMILESCC1=C(c2ccc(-c3ccccc3)cc2)SC2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.CC1=C(c2ccc(-c3ccccc3)cc2)SC2N1c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.C[N+]1=C(c2ccc(-c3ccccc3)cc2)OC2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3
InChIInChI=1S/2C40H26N3OS.C39H26N4O2/c1-24-37(27-21-19-26(20-22-27)25-10-3-2-4-11-25)45-39-40-35-31(42(24)39)15-7-17-33(35)44-34-18-8-16-32(36(34)40)43-30-14-6-5-12-28(30)29-13-9-23-41(40)38(29)43;1-24-38(27-19-17-26(18-20-27)25-10-3-2-4-11-25)45-39-40-35-31(42(24)39)14-9-15-32(35)44-33-22-21-29-28-12-5-6-13-30(28)43(37(29)36(33)40)34-16-7-8-23-41(34)40;1-40-37(26-19-17-25(18-20-26)24-10-3-2-4-11-24)45-38-39-34-30(43(38)40)14-9-15-31(34)44-32-22-21-28-27-12-5-6-13-29(27)42(36(28)35(32)39)33-16-7-8-23-41(33)39/h2*2-23,39H,1H3;2-23,38H,1H3/q2*+1;+2
InChIKeyMJIRZGUXRXTPBR-UHFFFAOYSA-N
MW1776.13 g/mol
LogP25.59
Rot. Bonds6

About 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene

5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene (PubChem CID 157217796) has the molecular formula C119H78N10O4S2+4 and a molecular weight of 1776.13 g/mol. Its IUPAC name is 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene.

Molecular Properties

Compound Name5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene
PubChem CID157217796
Molecular FormulaC119H78N10O4S2+4
Molecular Weight1776.13 g/mol
Exact Mass1774.56
IUPAC Name5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene
SMILESCC1=C(c2ccc(-c3ccccc3)cc2)SC2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.CC1=C(c2ccc(-c3ccccc3)cc2)SC2N1c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.C[N+]1=C(c2ccc(-c3ccccc3)cc2)OC2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3
InChIInChI=1S/2C40H26N3OS.C39H26N4O2/c1-24-37(27-21-19-26(20-22-27)25-10-3-2-4-11-25)45-39-40-35-31(42(24)39)15-7-17-33(35)44-34-18-8-16-32(36(34)40)43-30-14-6-5-12-28(30)29-13-9-23-41(40)38(29)43;1-24-38(27-19-17-26(18-20-27)25-10-3-2-4-11-25)45-39-40-35-31(42(24)39)14-9-15-32(35)44-33-22-21-29-28-12-5-6-13-30(28)43(37(29)36(33)40)34-16-7-8-23-41(34)40;1-40-37(26-19-17-25(18-20-26)24-10-3-2-4-11-24)45-38-39-34-30(43(38)40)14-9-15-31(34)44-32-22-21-28-27-12-5-6-13-29(27)42(36(28)35(32)39)33-16-7-8-23-41(33)39/h2*2-23,39H,1H3;2-23,38H,1H3/q2*+1;+2
InChIKeyMJIRZGUXRXTPBR-UHFFFAOYSA-N
XLogP25.59
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.13
LogP ≤ 525.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene with MolForge

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Related Compounds

4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 158142742
7-Methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 160763457
methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 161830942
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 162023135
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 162178566
CID 157074513
CID 157074513
4-(2,6-Dimethyl-4-phenylphenyl)-12-oxa-2,23-diaza-29,32-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-3,5,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,6-dimethyl-4-phenylphenyl)-12-oxa-2,3,5,23-tetraza-29,32-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-3,5,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,6-dimethyl-4-phenylphenyl)-12-oxa-2,3,23-triaza-29,32-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-3,5,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,6-dimethyl-4-phenylphenyl)-12-oxa-2,5,23-triaza-29,32-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-3,5,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157074850
3,5-Dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157113238
CID 157124253
CID 157124253
CID 157128479
CID 157128479
CID 157137683
CID 157137683
CID 157147047
CID 157147047

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene?
The IUPAC name of 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene (CID 157217796) is 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene.
What is the SMILES notation for 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene?
The canonical SMILES for 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene is CC1=C(c2ccc(-c3ccccc3)cc2)SC2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.CC1=C(c2ccc(-c3ccccc3)cc2)SC2N1c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.C[N+]1=C(c2ccc(-c3ccccc3)cc2)OC2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.
What is the InChIKey of 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene?
The InChIKey is MJIRZGUXRXTPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H26N3OS.C39H26N4O2/c1-24-37(27-21-19-26(20-22-27)25-10-3-2-4-11-25)45-39-40-35-31(42(24)39)15-7-17-33(35)44-34-18-8-16-32(36(34)40)43-30-14-6-5-12-28(30)29-13-9-23-41(40)38(29)43;1-24-38(27-19-17-26(18-20-27)25-10-3-2-4-11-25)45-39-40-35-31(42(24)39)14-9-15-32(35)44-33-22-21-29-28-12-5-6-13-30(28)43(37(29)36(33)40)34-16-7-8-23-41(34)40;1-40-37(26-19-17-25(18-20-26)24-10-3-2-4-11-24)45-38-39-34-30(43(38)40)14-9-15-31(34)44-32-22-21-28-27-12-5-6-13-29(27)42(36(28)35(32)39)33-16-7-8-23-41(33)39/h2*2-23,39H,1H3;2-23,38H,1H3/q2*+1;+2.
What are the key properties of 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene?
5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene has a molecular weight of 1776.13 g/mol, XLogP of 25.59, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-phenylphenyl)-3,12-dioxa-6,23-diaza-5,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,18-diaza-29-azonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tridecaene;5-methyl-4-(4-phenylphenyl)-12-oxa-3-thia-6,23-diaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene is sourced from PubChem (CID 157217796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).