16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

C135H83N19O2S — CID 157061124

IUPAC16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1cc(-n2c3ccccc3c3cccnc32)cc(-n2c3ccccc3c3nc4ccccn4c32)c1.c1ccc2c(c1)c1cccnc1n2-c1ccc(-n2c3ccccc3c3nc4ccccn4c32)cc1.c1ccc2c(c1)oc1c(-n3c4ccccc4c4nc5ccccn5c43)cccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4nc5ccccn5c43)cc12.c1ccc2c(c1)sc1c(-n3c4ccccc4c4nc5ccccn5c43)cccc12
InChIInChI=1S/2C30H19N5.2C25H15N3O.C25H15N3S/c1-3-14-25-22(11-1)23-13-8-17-31-29(23)34(25)20-9-7-10-21(19-20)35-26-15-4-2-12-24(26)28-30(35)33-18-6-5-16-27(33)32-28;1-3-11-25-22(8-1)23-10-7-18-31-29(23)34(25)20-14-16-21(17-15-20)35-26-12-4-2-9-24(26)28-30(35)33-19-6-5-13-27(33)32-28;1-3-11-19-18(9-1)23-25(27-15-6-5-14-22(27)26-23)28(19)20-12-7-10-17-16-8-2-4-13-21(16)29-24(17)20;1-3-9-20-18(8-1)24-25(27-14-6-5-11-23(27)26-24)28(20)16-12-13-22-19(15-16)17-7-2-4-10-21(17)29-22;1-3-11-19-18(9-1)23-25(27-15-6-5-14-22(27)26-23)28(19)20-12-7-10-17-16-8-2-4-13-21(16)29-24(17)20/h2*1-19H;3*1-15H
InChIKeyABIPFPWOENAZMJ-UHFFFAOYSA-N
MW2035.35 g/mol
LogP33.31
Rot. Bonds7

About 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 157061124) has the molecular formula C135H83N19O2S and a molecular weight of 2035.35 g/mol. Its IUPAC name is 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
PubChem CID157061124
Molecular FormulaC135H83N19O2S
Molecular Weight2035.35 g/mol
Exact Mass2033.67
IUPAC Name16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1cc(-n2c3ccccc3c3cccnc32)cc(-n2c3ccccc3c3nc4ccccn4c32)c1.c1ccc2c(c1)c1cccnc1n2-c1ccc(-n2c3ccccc3c3nc4ccccn4c32)cc1.c1ccc2c(c1)oc1c(-n3c4ccccc4c4nc5ccccn5c43)cccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4nc5ccccn5c43)cc12.c1ccc2c(c1)sc1c(-n3c4ccccc4c4nc5ccccn5c43)cccc12
InChIInChI=1S/2C30H19N5.2C25H15N3O.C25H15N3S/c1-3-14-25-22(11-1)23-13-8-17-31-29(23)34(25)20-9-7-10-21(19-20)35-26-15-4-2-12-24(26)28-30(35)33-18-6-5-16-27(33)32-28;1-3-11-25-22(8-1)23-10-7-18-31-29(23)34(25)20-14-16-21(17-15-20)35-26-12-4-2-9-24(26)28-30(35)33-19-6-5-13-27(33)32-28;1-3-11-19-18(9-1)23-25(27-15-6-5-14-22(27)26-23)28(19)20-12-7-10-17-16-8-2-4-13-21(16)29-24(17)20;1-3-9-20-18(8-1)24-25(27-14-6-5-11-23(27)26-24)28(20)16-12-13-22-19(15-16)17-7-2-4-10-21(17)29-22;1-3-11-19-18(9-1)23-25(27-15-6-5-14-22(27)26-23)28(19)20-12-7-10-17-16-8-2-4-13-21(16)29-24(17)20/h2*1-19H;3*1-15H
InChIKeyABIPFPWOENAZMJ-UHFFFAOYSA-N
XLogP33.31
TPSA173.07 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds7
Heavy Atoms157
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002035.35
LogP ≤ 533.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The IUPAC name of 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 157061124) is 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The canonical SMILES for 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is c1cc(-n2c3ccccc3c3cccnc32)cc(-n2c3ccccc3c3nc4ccccn4c32)c1.c1ccc2c(c1)c1cccnc1n2-c1ccc(-n2c3ccccc3c3nc4ccccn4c32)cc1.c1ccc2c(c1)oc1c(-n3c4ccccc4c4nc5ccccn5c43)cccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4nc5ccccn5c43)cc12.c1ccc2c(c1)sc1c(-n3c4ccccc4c4nc5ccccn5c43)cccc12.
What is the InChIKey of 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The InChIKey is ABIPFPWOENAZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H19N5.2C25H15N3O.C25H15N3S/c1-3-14-25-22(11-1)23-13-8-17-31-29(23)34(25)20-9-7-10-21(19-20)35-26-15-4-2-12-24(26)28-30(35)33-18-6-5-16-27(33)32-28;1-3-11-25-22(8-1)23-10-7-18-31-29(23)34(25)20-14-16-21(17-15-20)35-26-12-4-2-9-24(26)28-30(35)33-19-6-5-13-27(33)32-28;1-3-11-19-18(9-1)23-25(27-15-6-5-14-22(27)26-23)28(19)20-12-7-10-17-16-8-2-4-13-21(16)29-24(17)20;1-3-9-20-18(8-1)24-25(27-14-6-5-11-23(27)26-24)28(20)16-12-13-22-19(15-16)17-7-2-4-10-21(17)29-22;1-3-11-19-18(9-1)23-25(27-15-6-5-14-22(27)26-23)28(19)20-12-7-10-17-16-8-2-4-13-21(16)29-24(17)20/h2*1-19H;3*1-15H.
What are the key properties of 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 2035.35 g/mol, XLogP of 33.31, 7 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 16-dibenzofuran-2-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzofuran-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-dibenzothiophen-4-yl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(3-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-pyrido[2,3-b]indol-9-ylphenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 157061124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).