2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

C70H41N3OS — CID 156734693

IUPAC2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5oc6ccc(-c7cccc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccccc98)c7)cc6c45)n3)c2)cc1
InChIInChI=1S/C70H41N3OS/c1-2-15-42(16-3-1)43-17-13-20-48(38-43)67-71-68(49-33-36-65-56(41-49)53-24-7-11-30-64(53)75-65)73-69(72-67)54-25-14-29-63-66(54)57-40-47(32-35-62(57)74-63)45-19-12-18-44(37-45)46-31-34-61-55(39-46)52-23-6-10-28-60(52)70(61)58-26-8-4-21-50(58)51-22-5-9-27-59(51)70/h1-41H
InChIKeyLMIUHHFLUJIFHL-UHFFFAOYSA-N
MW972.18 g/mol
LogP18.48
Rot. Bonds6

About 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 156734693) has the molecular formula C70H41N3OS and a molecular weight of 972.18 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID156734693
Molecular FormulaC70H41N3OS
Molecular Weight972.18 g/mol
Exact Mass971.30
IUPAC Name2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5oc6ccc(-c7cccc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccccc98)c7)cc6c45)n3)c2)cc1
InChIInChI=1S/C70H41N3OS/c1-2-15-42(16-3-1)43-17-13-20-48(38-43)67-71-68(49-33-36-65-56(41-49)53-24-7-11-30-64(53)75-65)73-69(72-67)54-25-14-29-63-66(54)57-40-47(32-35-62(57)74-63)45-19-12-18-44(37-45)46-31-34-61-55(39-46)52-23-6-10-28-60(52)70(61)58-26-8-4-21-50(58)51-22-5-9-27-59(51)70/h1-41H
InChIKeyLMIUHHFLUJIFHL-UHFFFAOYSA-N
XLogP18.48
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.18
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734654
2-dibenzothiophen-1-yl-4-(3-phenylphenyl)-6-[8-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003018
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734860
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
2-dibenzothiophen-2-yl-4-phenyl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002314
2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369774
2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003122
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369212
2-dibenzothiophen-2-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166002402
2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734762
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-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167177443

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 156734693) is 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5oc6ccc(-c7cccc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccccc98)c7)cc6c45)n3)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is LMIUHHFLUJIFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41N3OS/c1-2-15-42(16-3-1)43-17-13-20-48(38-43)67-71-68(49-33-36-65-56(41-49)53-24-7-11-30-64(53)75-65)73-69(72-67)54-25-14-29-63-66(54)57-40-47(32-35-62(57)74-63)45-19-12-18-44(37-45)46-31-34-61-55(39-46)52-23-6-10-28-60(52)70(61)58-26-8-4-21-50(58)51-22-5-9-27-59(51)70/h1-41H.
What are the key properties of 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 972.18 g/mol, XLogP of 18.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 156734693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).