8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C74H43N5O2S — CID 58058980

IUPAC8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc4oc5ccc(-c6cccc(-n7c8ncccc8c8cc(-c9ccccc9-c9ccccn9)cnc87)c6)cc5c4c3)c3sc4c(-c5cccc6c5oc5ccccc56)cccc4c3c2)nc1
InChIInChI=1S/C74H43N5O2S/c1-3-19-52(65-27-7-9-34-75-65)50(17-1)47-40-60(72-63(41-47)58-25-13-24-57(71(58)82-72)56-23-12-22-55-54-21-5-6-29-67(54)81-70(55)56)46-31-33-69-62(39-46)61-38-45(30-32-68(61)80-69)44-15-11-16-49(37-44)79-73-59(26-14-36-77-73)64-42-48(43-78-74(64)79)51-18-2-4-20-53(51)66-28-8-10-35-76-66/h1-43H
InChIKeyRLRNTBZVQASOCT-UHFFFAOYSA-N
MW1066.26 g/mol
LogP20.20
Rot. Bonds8

About 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58058980) has the molecular formula C74H43N5O2S and a molecular weight of 1066.26 g/mol. Its IUPAC name is 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58058980
Molecular FormulaC74H43N5O2S
Molecular Weight1066.26 g/mol
Exact Mass1065.31
IUPAC Name8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc4oc5ccc(-c6cccc(-n7c8ncccc8c8cc(-c9ccccc9-c9ccccn9)cnc87)c6)cc5c4c3)c3sc4c(-c5cccc6c5oc5ccccc56)cccc4c3c2)nc1
InChIInChI=1S/C74H43N5O2S/c1-3-19-52(65-27-7-9-34-75-65)50(17-1)47-40-60(72-63(41-47)58-25-13-24-57(71(58)82-72)56-23-12-22-55-54-21-5-6-29-67(54)81-70(55)56)46-31-33-69-62(39-46)61-38-45(30-32-68(61)80-69)44-15-11-16-49(37-44)79-73-59(26-14-36-77-73)64-42-48(43-78-74(64)79)51-18-2-4-20-53(51)66-28-8-10-35-76-66/h1-43H
InChIKeyRLRNTBZVQASOCT-UHFFFAOYSA-N
XLogP20.20
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.26
LogP ≤ 520.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58058980) is 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2ccccc2-c2cc(-c3ccc4oc5ccc(-c6cccc(-n7c8ncccc8c8cc(-c9ccccc9-c9ccccn9)cnc87)c6)cc5c4c3)c3sc4c(-c5cccc6c5oc5ccccc56)cccc4c3c2)nc1.
What is the InChIKey of 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is RLRNTBZVQASOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H43N5O2S/c1-3-19-52(65-27-7-9-34-75-65)50(17-1)47-40-60(72-63(41-47)58-25-13-24-57(71(58)82-72)56-23-12-22-55-54-21-5-6-29-67(54)81-70(55)56)46-31-33-69-62(39-46)61-38-45(30-32-68(61)80-69)44-15-11-16-49(37-44)79-73-59(26-14-36-77-73)64-42-48(43-78-74(64)79)51-18-2-4-20-53(51)66-28-8-10-35-76-66/h1-43H.
What are the key properties of 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1066.26 g/mol, XLogP of 20.20, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58058980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).