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

C70H39N3O2S — CID 156734840

IUPAC2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9c8oc8ccccc89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)cc3)c21
InChIInChI=1S/C70H39N3O2S/c1-6-26-55-44(15-1)45-16-2-7-27-56(45)70(55)57-28-8-3-17-46(57)48-21-11-20-43(65(48)70)41-35-33-40(34-36-41)42-37-38-59-54(39-42)63-51(23-13-30-60(63)74-59)67-71-68(52-24-14-32-62-64(52)50-19-5-10-31-61(50)76-62)73-69(72-67)53-25-12-22-49-47-18-4-9-29-58(47)75-66(49)53/h1-39H
InChIKeyYTPHQMPQABCRFY-UHFFFAOYSA-N
MW986.17 g/mol
LogP18.72
Rot. Bonds5

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

2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 156734840) has the molecular formula C70H39N3O2S and a molecular weight of 986.17 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID156734840
Molecular FormulaC70H39N3O2S
Molecular Weight986.17 g/mol
Exact Mass985.28
IUPAC Name2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9c8oc8ccccc89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)cc3)c21
InChIInChI=1S/C70H39N3O2S/c1-6-26-55-44(15-1)45-16-2-7-27-56(45)70(55)57-28-8-3-17-46(57)48-21-11-20-43(65(48)70)41-35-33-40(34-36-41)42-37-38-59-54(39-42)63-51(23-13-30-60(63)74-59)67-71-68(52-24-14-32-62-64(52)50-19-5-10-31-61(50)76-62)73-69(72-67)53-25-12-22-49-47-18-4-9-29-58(47)75-66(49)53/h1-39H
InChIKeyYTPHQMPQABCRFY-UHFFFAOYSA-N
XLogP18.72
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.17
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002766
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369497
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-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003028
2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002344
2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 156734731
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
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369265
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002312
2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166002727
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 156734840) is 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9c8oc8ccccc89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)cc3)c21.
What is the InChIKey of 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is YTPHQMPQABCRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H39N3O2S/c1-6-26-55-44(15-1)45-16-2-7-27-56(45)70(55)57-28-8-3-17-46(57)48-21-11-20-43(65(48)70)41-35-33-40(34-36-41)42-37-38-59-54(39-42)63-51(23-13-30-60(63)74-59)67-71-68(52-24-14-32-62-64(52)50-19-5-10-31-61(50)76-62)73-69(72-67)53-25-12-22-49-47-18-4-9-29-58(47)75-66(49)53/h1-39H.
What are the key properties of 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 986.17 g/mol, XLogP of 18.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 156734840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).