8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C89H56N14S — CID 58099641

IUPAC8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc(-c2ccccc2)c2c(sc3c(-n4c5ccc(-c6cccc(-c7cccc(-n8c9ccncc9c9cnccc98)n7)n6)cc5c5ncccc54)c(C)c(C)c(-c4ccccc4)c32)c1-n1c2ccc(-c3cccc(-c4cccc(-n5c6ccncc6c6cnccc65)n4)n3)cc2c2ncccc21
InChIInChI=1S/C89H56N14S/c1-51-44-58(54-16-6-4-7-17-54)82-83-81(55-18-8-5-9-19-55)52(2)53(3)87(103-72-33-31-57(46-60(72)85-78(103)27-15-39-95-85)66-21-11-23-68(97-66)70-25-13-29-80(99-70)101-75-36-42-92-49-63(75)64-50-93-43-37-76(64)101)89(83)104-88(82)86(51)102-71-32-30-56(45-59(71)84-77(102)26-14-38-94-84)65-20-10-22-67(96-65)69-24-12-28-79(98-69)100-73-34-40-90-47-61(73)62-48-91-41-35-74(62)100/h4-50H,1-3H3
InChIKeyCFBKEMTVMNNVSZ-UHFFFAOYSA-N
MW1353.59 g/mol
LogP21.32
Rot. Bonds10

About 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58099641) has the molecular formula C89H56N14S and a molecular weight of 1353.59 g/mol. Its IUPAC name is 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58099641
Molecular FormulaC89H56N14S
Molecular Weight1353.59 g/mol
Exact Mass1352.45
IUPAC Name8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc(-c2ccccc2)c2c(sc3c(-n4c5ccc(-c6cccc(-c7cccc(-n8c9ccncc9c9cnccc98)n7)n6)cc5c5ncccc54)c(C)c(C)c(-c4ccccc4)c32)c1-n1c2ccc(-c3cccc(-c4cccc(-n5c6ccncc6c6cnccc65)n4)n3)cc2c2ncccc21
InChIInChI=1S/C89H56N14S/c1-51-44-58(54-16-6-4-7-17-54)82-83-81(55-18-8-5-9-19-55)52(2)53(3)87(103-72-33-31-57(46-60(72)85-78(103)27-15-39-95-85)66-21-11-23-68(97-66)70-25-13-29-80(99-70)101-75-36-42-92-49-63(75)64-50-93-43-37-76(64)101)89(83)104-88(82)86(51)102-71-32-30-56(45-59(71)84-77(102)26-14-38-94-84)65-20-10-22-67(96-65)69-24-12-28-79(98-69)100-73-34-40-90-47-61(73)62-48-91-41-35-74(62)100/h4-50H,1-3H3
InChIKeyCFBKEMTVMNNVSZ-UHFFFAOYSA-N
XLogP21.32
TPSA148.62 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001353.59
LogP ≤ 521.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58099641) is 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1cc(-c2ccccc2)c2c(sc3c(-n4c5ccc(-c6cccc(-c7cccc(-n8c9ccncc9c9cnccc98)n7)n6)cc5c5ncccc54)c(C)c(C)c(-c4ccccc4)c32)c1-n1c2ccc(-c3cccc(-c4cccc(-n5c6ccncc6c6cnccc65)n4)n3)cc2c2ncccc21.
What is the InChIKey of 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is CFBKEMTVMNNVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H56N14S/c1-51-44-58(54-16-6-4-7-17-54)82-83-81(55-18-8-5-9-19-55)52(2)53(3)87(103-72-33-31-57(46-60(72)85-78(103)27-15-39-95-85)66-21-11-23-68(97-66)70-25-13-29-80(99-70)101-75-36-42-92-49-63(75)64-50-93-43-37-76(64)101)89(83)104-88(82)86(51)102-71-32-30-56(45-59(71)84-77(102)26-14-38-94-84)65-20-10-22-67(96-65)69-24-12-28-79(98-69)100-73-34-40-90-47-61(73)62-48-91-41-35-74(62)100/h4-50H,1-3H3.
What are the key properties of 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1353.59 g/mol, XLogP of 21.32, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[6-[5-[2,3,7-trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58099641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).