6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C66H43N3OS — CID 121449354

IUPAC6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccccc1-c1cccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)ccc3n4-c3ccc(-c4nccc5c4oc4cnccc45)cc3)cc2)c1C
InChIInChI=1S/C66H43N3OS/c1-40-9-3-4-10-50(40)52-13-7-12-51(41(52)2)44-21-17-42(18-22-44)47-27-31-60-58(37-47)59-38-48(43-19-23-45(24-20-43)53-14-8-15-57-55-11-5-6-16-63(55)71-66(53)57)28-32-61(59)69(60)49-29-25-46(26-30-49)64-65-56(34-36-68-64)54-33-35-67-39-62(54)70-65/h3-39H,1-2H3
InChIKeyXXJWHHIFWUUSGS-UHFFFAOYSA-N
MW926.16 g/mol
LogP18.46
Rot. Bonds7

About 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 121449354) has the molecular formula C66H43N3OS and a molecular weight of 926.16 g/mol. Its IUPAC name is 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID121449354
Molecular FormulaC66H43N3OS
Molecular Weight926.16 g/mol
Exact Mass925.31
IUPAC Name6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccccc1-c1cccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)ccc3n4-c3ccc(-c4nccc5c4oc4cnccc45)cc3)cc2)c1C
InChIInChI=1S/C66H43N3OS/c1-40-9-3-4-10-50(40)52-13-7-12-51(41(52)2)44-21-17-42(18-22-44)47-27-31-60-58(37-47)59-38-48(43-19-23-45(24-20-43)53-14-8-15-57-55-11-5-6-16-63(55)71-66(53)57)28-32-61(59)69(60)49-29-25-46(26-30-49)64-65-56(34-36-68-64)54-33-35-67-39-62(54)70-65/h3-39H,1-2H3
InChIKeyXXJWHHIFWUUSGS-UHFFFAOYSA-N
XLogP18.46
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.16
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[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 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 121449354) is 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ccccc1-c1cccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)ccc3n4-c3ccc(-c4nccc5c4oc4cnccc45)cc3)cc2)c1C.
What is the InChIKey of 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is XXJWHHIFWUUSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3OS/c1-40-9-3-4-10-50(40)52-13-7-12-51(41(52)2)44-21-17-42(18-22-44)47-27-31-60-58(37-47)59-38-48(43-19-23-45(24-20-43)53-14-8-15-57-55-11-5-6-16-63(55)71-66(53)57)28-32-61(59)69(60)49-29-25-46(26-30-49)64-65-56(34-36-68-64)54-33-35-67-39-62(54)70-65/h3-39H,1-2H3.
What are the key properties of 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 926.16 g/mol, XLogP of 18.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(4-dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 121449354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).