2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

C202H110N12O5S2 — CID 163650334

IUPAC2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
SMILESc1ccc2c(c1)ccc1c3c4c5ccccc5c5ccccc5c4ccc3n(-c3nc(-c4ccc5oc6ccccc6c5c4)c4c(n3)sc3ccccc34)c21.c1ccc2c(c1)ccc1c3c4c5ccccc5c5ccccc5c4ccc3n(-c3nc4c(nc3-c3ccc5oc6ccccc6c5c3)oc3ccccc34)c21.c1ccc2c(c1)ccc1c3c4c5ccccc5c5ccccc5c4ccc3n(-c3nc4c(nc3-c3ccc5oc6ccccc6c5c3)sc3ccccc34)c21.c1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)c(-c3ccc4oc5ccccc5c4c3)nc12
InChIInChI=1S/C52H29N3O.C50H27N3O2.2C50H27N3OS/c1-3-13-33-30(11-1)22-26-43-50(33)54-49(32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)52(53-43)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55;1-2-12-30-28(11-1)21-23-38-45-40(25-24-36-33-15-4-3-13-31(33)32-14-5-6-17-35(32)44(36)45)53(48(30)38)49-46(52-50-47(51-49)37-18-8-10-20-42(37)55-50)29-22-26-43-39(27-29)34-16-7-9-19-41(34)54-43;1-2-12-30-28(11-1)21-23-38-45-40(25-24-36-33-15-4-3-13-31(33)32-14-5-6-17-35(32)44(36)45)53(48(30)38)50-51-47(46-37-18-8-10-20-43(37)55-49(46)52-50)29-22-26-42-39(27-29)34-16-7-9-19-41(34)54-42;1-2-12-30-28(11-1)21-23-38-45-40(25-24-36-33-15-4-3-13-31(33)32-14-5-6-17-35(32)44(36)45)53(48(30)38)49-46(52-50-47(51-49)37-18-8-10-20-43(37)55-50)29-22-26-42-39(27-29)34-16-7-9-19-41(34)54-42/h1-29H;3*1-27H
InChIKeyILSRWMVLWYLPOJ-UHFFFAOYSA-N
MW2849.31 g/mol
LogP55.95
Rot. Bonds8

About 2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (PubChem CID 163650334) has the molecular formula C202H110N12O5S2 and a molecular weight of 2849.31 g/mol. Its IUPAC name is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]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[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
PubChem CID163650334
Molecular FormulaC202H110N12O5S2
Molecular Weight2849.31 g/mol
Exact Mass2846.82
IUPAC Name2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
SMILESc1ccc2c(c1)ccc1c3c4c5ccccc5c5ccccc5c4ccc3n(-c3nc(-c4ccc5oc6ccccc6c5c4)c4c(n3)sc3ccccc34)c21.c1ccc2c(c1)ccc1c3c4c5ccccc5c5ccccc5c4ccc3n(-c3nc4c(nc3-c3ccc5oc6ccccc6c5c3)oc3ccccc34)c21.c1ccc2c(c1)ccc1c3c4c5ccccc5c5ccccc5c4ccc3n(-c3nc4c(nc3-c3ccc5oc6ccccc6c5c3)sc3ccccc34)c21.c1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)c(-c3ccc4oc5ccccc5c4c3)nc12
InChIInChI=1S/C52H29N3O.C50H27N3O2.2C50H27N3OS/c1-3-13-33-30(11-1)22-26-43-50(33)54-49(32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)52(53-43)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55;1-2-12-30-28(11-1)21-23-38-45-40(25-24-36-33-15-4-3-13-31(33)32-14-5-6-17-35(32)44(36)45)53(48(30)38)49-46(52-50-47(51-49)37-18-8-10-20-42(37)55-50)29-22-26-43-39(27-29)34-16-7-9-19-41(34)54-43;1-2-12-30-28(11-1)21-23-38-45-40(25-24-36-33-15-4-3-13-31(33)32-14-5-6-17-35(32)44(36)45)53(48(30)38)50-51-47(46-37-18-8-10-20-43(37)55-49(46)52-50)29-22-26-42-39(27-29)34-16-7-9-19-41(34)54-42;1-2-12-30-28(11-1)21-23-38-45-40(25-24-36-33-15-4-3-13-31(33)32-14-5-6-17-35(32)44(36)45)53(48(30)38)49-46(52-50-47(51-49)37-18-8-10-20-43(37)55-50)29-22-26-42-39(27-29)34-16-7-9-19-41(34)54-42/h1-29H;3*1-27H
InChIKeyILSRWMVLWYLPOJ-UHFFFAOYSA-N
XLogP55.95
TPSA188.54 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002849.31
LogP ≤ 555.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]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[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]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[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (CID 163650334) is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]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[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]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[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is c1ccc2c(c1)ccc1c3c4c5ccccc5c5ccccc5c4ccc3n(-c3nc(-c4ccc5oc6ccccc6c5c4)c4c(n3)sc3ccccc34)c21.c1ccc2c(c1)ccc1c3c4c5ccccc5c5ccccc5c4ccc3n(-c3nc4c(nc3-c3ccc5oc6ccccc6c5c3)oc3ccccc34)c21.c1ccc2c(c1)ccc1c3c4c5ccccc5c5ccccc5c4ccc3n(-c3nc4c(nc3-c3ccc5oc6ccccc6c5c3)sc3ccccc34)c21.c1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)c(-c3ccc4oc5ccccc5c4c3)nc12.
What is the InChIKey of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The InChIKey is ILSRWMVLWYLPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O.C50H27N3O2.2C50H27N3OS/c1-3-13-33-30(11-1)22-26-43-50(33)54-49(32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)52(53-43)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55;1-2-12-30-28(11-1)21-23-38-45-40(25-24-36-33-15-4-3-13-31(33)32-14-5-6-17-35(32)44(36)45)53(48(30)38)49-46(52-50-47(51-49)37-18-8-10-20-42(37)55-50)29-22-26-43-39(27-29)34-16-7-9-19-41(34)54-43;1-2-12-30-28(11-1)21-23-38-45-40(25-24-36-33-15-4-3-13-31(33)32-14-5-6-17-35(32)44(36)45)53(48(30)38)50-51-47(46-37-18-8-10-20-43(37)55-49(46)52-50)29-22-26-42-39(27-29)34-16-7-9-19-41(34)54-42;1-2-12-30-28(11-1)21-23-38-45-40(25-24-36-33-15-4-3-13-31(33)32-14-5-6-17-35(32)44(36)45)53(48(30)38)49-46(52-50-47(51-49)37-18-8-10-20-43(37)55-50)29-22-26-42-39(27-29)34-16-7-9-19-41(34)54-42/h1-29H;3*1-27H.
What are the key properties of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 2849.31 g/mol, XLogP of 55.95, 8 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-2-yl-[1]benzothiolo[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidine;13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 163650334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).