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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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 163858012

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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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(-c3cccc4c3sc3ccccc34)nc21.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3c1sc1ccccc13)oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3c1sc1ccccc13)sc1ccccc12.c1ccc2c(c1)ccc1nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4c3sc3ccccc34)nc12
InChIInChI=1S/C53H33N3S.C52H29N3S.C50H27N3OS.C50H27N3S2/c1-53(2)41-24-11-9-21-39(41)48-51(53)54-49(40-23-13-22-38-35-19-10-12-25-44(35)57-50(38)40)52(55-48)56-42-28-26-30-14-3-4-15-31(30)46(42)47-43(56)29-27-37-34-18-6-5-16-32(34)33-17-7-8-20-36(33)45(37)47;1-3-14-32-30(12-1)25-28-43-47(32)48-44(29-26-39-36-18-6-5-16-34(36)35-17-7-8-20-38(35)46(39)48)55(43)52-50(54-49-33-15-4-2-13-31(33)24-27-42(49)53-52)41-22-11-21-40-37-19-9-10-23-45(37)56-51(40)41;1-2-13-29-28(12-1)24-26-39-44(29)45-40(27-25-35-32-16-4-3-14-30(32)31-15-5-6-18-34(31)43(35)45)53(39)49-46(52-50-47(51-49)37-19-7-9-22-41(37)54-50)38-21-11-20-36-33-17-8-10-23-42(33)55-48(36)38;1-2-13-29-28(12-1)24-26-39-44(29)45-40(27-25-35-32-16-4-3-14-30(32)31-15-5-6-18-34(31)43(35)45)53(39)49-46(52-50-47(51-49)37-19-8-10-23-42(37)55-50)38-21-11-20-36-33-17-7-9-22-41(33)54-48(36)38/h3-29H,1-2H3;1-29H;2*1-27H
InChIKeyPAAOUEPDEDPQAF-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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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 163858012) 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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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 CID163858012
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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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(-c3cccc4c3sc3ccccc34)nc21.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3c1sc1ccccc13)oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3c1sc1ccccc13)sc1ccccc12.c1ccc2c(c1)ccc1nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4c3sc3ccccc34)nc12
InChIInChI=1S/C53H33N3S.C52H29N3S.C50H27N3OS.C50H27N3S2/c1-53(2)41-24-11-9-21-39(41)48-51(53)54-49(40-23-13-22-38-35-19-10-12-25-44(35)57-50(38)40)52(55-48)56-42-28-26-30-14-3-4-15-31(30)46(42)47-43(56)29-27-37-34-18-6-5-16-32(34)33-17-7-8-20-36(33)45(37)47;1-3-14-32-30(12-1)25-28-43-47(32)48-44(29-26-39-36-18-6-5-16-34(36)35-17-7-8-20-38(35)46(39)48)55(43)52-50(54-49-33-15-4-2-13-31(33)24-27-42(49)53-52)41-22-11-21-40-37-19-9-10-23-45(37)56-51(40)41;1-2-13-29-28(12-1)24-26-39-44(29)45-40(27-25-35-32-16-4-3-14-30(32)31-15-5-6-18-34(31)43(35)45)53(39)49-46(52-50-47(51-49)37-19-7-9-22-41(37)54-50)38-21-11-20-36-33-17-8-10-23-42(33)55-48(36)38;1-2-13-29-28(12-1)24-26-39-44(29)45-40(27-25-35-32-16-4-3-14-30(32)31-15-5-6-18-34(31)43(35)45)53(39)49-46(52-50-47(51-49)37-19-8-10-23-42(37)55-50)38-21-11-20-36-33-17-7-9-22-41(33)54-48(36)38/h3-29H,1-2H3;1-29H;2*1-27H
InChIKeyPAAOUEPDEDPQAF-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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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 163858012) 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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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(-c3cccc4c3sc3ccccc34)nc21.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3c1sc1ccccc13)oc1ccccc12.c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc2c(nc1-c1cccc3c1sc1ccccc13)sc1ccccc12.c1ccc2c(c1)ccc1nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)c(-c3cccc4c3sc3ccccc34)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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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 PAAOUEPDEDPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S.C52H29N3S.C50H27N3OS.C50H27N3S2/c1-53(2)41-24-11-9-21-39(41)48-51(53)54-49(40-23-13-22-38-35-19-10-12-25-44(35)57-50(38)40)52(55-48)56-42-28-26-30-14-3-4-15-31(30)46(42)47-43(56)29-27-37-34-18-6-5-16-32(34)33-17-7-8-20-36(33)45(37)47;1-3-14-32-30(12-1)25-28-43-47(32)48-44(29-26-39-36-18-6-5-16-34(36)35-17-7-8-20-38(35)46(39)48)55(43)52-50(54-49-33-15-4-2-13-31(33)24-27-42(49)53-52)41-22-11-21-40-37-19-9-10-23-45(37)56-51(40)41;1-2-13-29-28(12-1)24-26-39-44(29)45-40(27-25-35-32-16-4-3-14-30(32)31-15-5-6-18-34(31)43(35)45)53(39)49-46(52-50-47(51-49)37-19-7-9-22-41(37)54-50)38-21-11-20-36-33-17-8-10-23-42(33)55-48(36)38;1-2-13-29-28(12-1)24-26-39-44(29)45-40(27-25-35-32-16-4-3-14-30(32)31-15-5-6-18-34(31)43(35)45)53(39)49-46(52-50-47(51-49)37-19-8-10-23-42(37)55-50)38-21-11-20-36-33-17-7-9-22-41(33)54-48(36)38/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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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-4-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-4-yl-[1]benzothiolo[2,3-b]pyrazine;13-(2-dibenzothiophen-4-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-4-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 163858012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).