2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

C205H116N12OS5 — CID 163725208

IUPAC2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4sc5ccccc5c34)nc21.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3sc4ccccc4c13)oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3sc4ccccc4c13)sc1ccccc12.c1ccc2c(c1)ccc1nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4sc5ccccc5c34)nc12
InChIInChI=1S/C53H33N3S.C52H29N3S.C50H27N3OS.C50H27N3S2/c1-53(2)40-23-11-9-20-37(40)49-51(53)54-50(39-22-13-25-44-45(39)38-21-10-12-24-43(38)57-44)52(55-49)56-41-28-26-30-14-3-4-15-31(30)47(41)48-42(56)29-27-36-34-18-6-5-16-32(34)33-17-7-8-19-35(33)46(36)48;1-3-14-32-30(12-1)25-28-42-48(32)49-43(29-26-38-36-18-6-5-16-34(36)35-17-7-8-19-37(35)47(38)49)55(42)52-51(54-50-33-15-4-2-13-31(33)24-27-41(50)53-52)40-21-11-23-45-46(40)39-20-9-10-22-44(39)56-45;1-2-13-29-28(12-1)24-26-38-45(29)46-39(27-25-34-32-16-4-3-14-30(32)31-15-5-6-17-33(31)44(34)46)53(38)49-47(52-50-48(51-49)35-18-7-9-21-40(35)54-50)37-20-11-23-42-43(37)36-19-8-10-22-41(36)55-42;1-2-13-29-28(12-1)24-26-38-45(29)46-39(27-25-34-32-16-4-3-14-30(32)31-15-5-6-17-33(31)44(34)46)53(38)49-47(52-50-48(51-49)36-19-8-10-22-41(36)55-50)37-20-11-23-42-43(37)35-18-7-9-21-40(35)54-42/h3-29H,1-2H3;1-29H;2*1-27H
InChIKeyKUYIXDXFFPNESL-UHFFFAOYSA-N
MW2923.60 g/mol
LogP57.77
Rot. Bonds8

About 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (PubChem CID 163725208) has the molecular formula C205H116N12OS5 and a molecular weight of 2923.60 g/mol. Its IUPAC name is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
PubChem CID163725208
Molecular FormulaC205H116N12OS5
Molecular Weight2923.60 g/mol
Exact Mass2920.80
IUPAC Name2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4sc5ccccc5c34)nc21.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3sc4ccccc4c13)oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3sc4ccccc4c13)sc1ccccc12.c1ccc2c(c1)ccc1nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4sc5ccccc5c34)nc12
InChIInChI=1S/C53H33N3S.C52H29N3S.C50H27N3OS.C50H27N3S2/c1-53(2)40-23-11-9-20-37(40)49-51(53)54-50(39-22-13-25-44-45(39)38-21-10-12-24-43(38)57-44)52(55-49)56-41-28-26-30-14-3-4-15-31(30)47(41)48-42(56)29-27-36-34-18-6-5-16-32(34)33-17-7-8-19-35(33)46(36)48;1-3-14-32-30(12-1)25-28-42-48(32)49-43(29-26-38-36-18-6-5-16-34(36)35-17-7-8-19-37(35)47(38)49)55(42)52-51(54-50-33-15-4-2-13-31(33)24-27-41(50)53-52)40-21-11-23-45-46(40)39-20-9-10-22-44(39)56-45;1-2-13-29-28(12-1)24-26-38-45(29)46-39(27-25-34-32-16-4-3-14-30(32)31-15-5-6-17-33(31)44(34)46)53(38)49-47(52-50-48(51-49)35-18-7-9-21-40(35)54-50)37-20-11-23-42-43(37)36-19-8-10-22-41(36)55-42;1-2-13-29-28(12-1)24-26-38-45(29)46-39(27-25-34-32-16-4-3-14-30(32)31-15-5-6-17-33(31)44(34)46)53(38)49-47(52-50-48(51-49)36-19-8-10-22-41(36)55-50)37-20-11-23-42-43(37)35-18-7-9-21-40(35)54-42/h3-29H,1-2H3;1-29H;2*1-27H
InChIKeyKUYIXDXFFPNESL-UHFFFAOYSA-N
XLogP57.77
TPSA135.98 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002923.60
LogP ≤ 557.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (CID 163725208) is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is CC1(C)c2ccccc2-c2nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4sc5ccccc5c34)nc21.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3sc4ccccc4c13)oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3sc4ccccc4c13)sc1ccccc12.c1ccc2c(c1)ccc1nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4sc5ccccc5c34)nc12.
What is the InChIKey of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The InChIKey is KUYIXDXFFPNESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S.C52H29N3S.C50H27N3OS.C50H27N3S2/c1-53(2)40-23-11-9-20-37(40)49-51(53)54-50(39-22-13-25-44-45(39)38-21-10-12-24-43(38)57-44)52(55-49)56-41-28-26-30-14-3-4-15-31(30)47(41)48-42(56)29-27-36-34-18-6-5-16-32(34)33-17-7-8-19-35(33)46(36)48;1-3-14-32-30(12-1)25-28-42-48(32)49-43(29-26-38-36-18-6-5-16-34(36)35-17-7-8-19-37(35)47(38)49)55(42)52-51(54-50-33-15-4-2-13-31(33)24-27-41(50)53-52)40-21-11-23-45-46(40)39-20-9-10-22-44(39)56-45;1-2-13-29-28(12-1)24-26-38-45(29)46-39(27-25-34-32-16-4-3-14-30(32)31-15-5-6-17-33(31)44(34)46)53(38)49-47(52-50-48(51-49)35-18-7-9-21-40(35)54-50)37-20-11-23-42-43(37)36-19-8-10-22-41(36)55-42;1-2-13-29-28(12-1)24-26-38-45(29)46-39(27-25-34-32-16-4-3-14-30(32)31-15-5-6-17-33(31)44(34)46)53(38)49-47(52-50-48(51-49)36-19-8-10-22-41(36)55-50)37-20-11-23-42-43(37)35-18-7-9-21-40(35)54-42/h3-29H,1-2H3;1-29H;2*1-27H.
What are the key properties of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 2923.60 g/mol, XLogP of 57.77, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-1-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-1-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(2-dibenzothiophen-1-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 163725208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).