8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C71H40N10S2 — CID 58058978

IUPAC8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cccc3c2sc2ccc(-c4nc(-c5ccc6sc7c(-c8cccc(-n9c%10ccccc%10c%10ncccc%109)c8)cccc7c6c5)nc(-n5c6ccncc6c6cnccc65)n4)cc23)cc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C71H40N10S2/c1-3-21-57-51(15-1)65-61(23-9-31-74-65)79(57)45-13-5-11-41(35-45)47-17-7-19-49-53-37-43(25-27-63(53)82-67(47)49)69-76-70(78-71(77-69)81-59-29-33-72-39-55(59)56-40-73-34-30-60(56)81)44-26-28-64-54(38-44)50-20-8-18-48(68(50)83-64)42-12-6-14-46(36-42)80-58-22-4-2-16-52(58)66-62(80)24-10-32-75-66/h1-40H
InChIKeyZYHHBNUXVPIBLS-UHFFFAOYSA-N
MW1097.31 g/mol
LogP18.15
Rot. Bonds7

About 8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58058978) has the molecular formula C71H40N10S2 and a molecular weight of 1097.31 g/mol. Its IUPAC name is 8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58058978
Molecular FormulaC71H40N10S2
Molecular Weight1097.31 g/mol
Exact Mass1096.29
IUPAC Name8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cccc3c2sc2ccc(-c4nc(-c5ccc6sc7c(-c8cccc(-n9c%10ccccc%10c%10ncccc%109)c8)cccc7c6c5)nc(-n5c6ccncc6c6cnccc65)n4)cc23)cc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C71H40N10S2/c1-3-21-57-51(15-1)65-61(23-9-31-74-65)79(57)45-13-5-11-41(35-45)47-17-7-19-49-53-37-43(25-27-63(53)82-67(47)49)69-76-70(78-71(77-69)81-59-29-33-72-39-55(59)56-40-73-34-30-60(56)81)44-26-28-64-54(38-44)50-20-8-18-48(68(50)83-64)42-12-6-14-46(36-42)80-58-22-4-2-16-52(58)66-62(80)24-10-32-75-66/h1-40H
InChIKeyZYHHBNUXVPIBLS-UHFFFAOYSA-N
XLogP18.15
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001097.31
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-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-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58058978) is 8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-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-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc(-c2cccc3c2sc2ccc(-c4nc(-c5ccc6sc7c(-c8cccc(-n9c%10ccccc%10c%10ncccc%109)c8)cccc7c6c5)nc(-n5c6ccncc6c6cnccc65)n4)cc23)cc(-n2c3ccccc3c3ncccc32)c1.
What is the InChIKey of 8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is ZYHHBNUXVPIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H40N10S2/c1-3-21-57-51(15-1)65-61(23-9-31-74-65)79(57)45-13-5-11-41(35-45)47-17-7-19-49-53-37-43(25-27-63(53)82-67(47)49)69-76-70(78-71(77-69)81-59-29-33-72-39-55(59)56-40-73-34-30-60(56)81)44-26-28-64-54(38-44)50-20-8-18-48(68(50)83-64)42-12-6-14-46(36-42)80-58-22-4-2-16-52(58)66-62(80)24-10-32-75-66/h1-40H.
What are the key properties of 8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1097.31 g/mol, XLogP of 18.15, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58058978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).