2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine

C63H43N3OS — CID 139418309

IUPAC2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4cccc5oc6ccc(-c7ccc8c(c7)-c7ccccc7CCC8c7ccccc7)cc6c45)nc(-c4cccc5sc6ccccc6c45)n3)cccc21
InChIInChI=1S/C63H43N3OS/c1-63(2)51-24-10-8-19-44(51)57-46(21-12-25-52(57)63)60-64-61(66-62(65-60)48-23-14-28-56-59(48)45-20-9-11-27-55(45)68-56)47-22-13-26-54-58(47)50-36-40(31-34-53(50)67-54)39-30-33-43-42(37-15-4-3-5-16-37)32-29-38-17-6-7-18-41(38)49(43)35-39/h3-28,30-31,33-36,42H,29,32H2,1-2H3
InChIKeyLWPHWOQTCBVVTF-UHFFFAOYSA-N
MW890.12 g/mol
LogP16.86
Rot. Bonds5

About 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 139418309) has the molecular formula C63H43N3OS and a molecular weight of 890.12 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID139418309
Molecular FormulaC63H43N3OS
Molecular Weight890.12 g/mol
Exact Mass889.31
IUPAC Name2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4cccc5oc6ccc(-c7ccc8c(c7)-c7ccccc7CCC8c7ccccc7)cc6c45)nc(-c4cccc5sc6ccccc6c45)n3)cccc21
InChIInChI=1S/C63H43N3OS/c1-63(2)51-24-10-8-19-44(51)57-46(21-12-25-52(57)63)60-64-61(66-62(65-60)48-23-14-28-56-59(48)45-20-9-11-27-55(45)68-56)47-22-13-26-54-58(47)50-36-40(31-34-53(50)67-54)39-30-33-43-42(37-15-4-3-5-16-37)32-29-38-17-6-7-18-41(38)49(43)35-39/h3-28,30-31,33-36,42H,29,32H2,1-2H3
InChIKeyLWPHWOQTCBVVTF-UHFFFAOYSA-N
XLogP16.86
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.12
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 146964230
2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 123604887
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
2-dibenzothiophen-2-yl-4-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002845
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002305
2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681114
2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002362
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002555
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734754
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369265

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 139418309) is 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4cccc5oc6ccc(-c7ccc8c(c7)-c7ccccc7CCC8c7ccccc7)cc6c45)nc(-c4cccc5sc6ccccc6c45)n3)cccc21.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is LWPHWOQTCBVVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3OS/c1-63(2)51-24-10-8-19-44(51)57-46(21-12-25-52(57)63)60-64-61(66-62(65-60)48-23-14-28-56-59(48)45-20-9-11-27-55(45)68-56)47-22-13-26-54-58(47)50-36-40(31-34-53(50)67-54)39-30-33-43-42(37-15-4-3-5-16-37)32-29-38-17-6-7-18-41(38)49(43)35-39/h3-28,30-31,33-36,42H,29,32H2,1-2H3.
What are the key properties of 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 890.12 g/mol, XLogP of 16.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 139418309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).