2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine

C64H37N3O2S — CID 153368812

IUPAC2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)sc8ccccc89)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)cc32)cc1
InChIInChI=1S/C64H37N3O2S/c1-3-15-41(16-4-1)64(42-17-5-2-6-18-42)51-24-10-7-19-43(51)44-32-29-39(36-52(44)64)38-31-34-54-50(35-38)60-49(23-14-27-56(60)69-54)63-66-61(40-30-33-46-45-20-9-12-28-57(45)70-58(46)37-40)65-62(67-63)48-22-13-26-55-59(48)47-21-8-11-25-53(47)68-55/h1-37H
InChIKeyQPMPSLFWNIAXRR-UHFFFAOYSA-N
MW912.09 g/mol
LogP17.07
Rot. Bonds6

About 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 153368812) has the molecular formula C64H37N3O2S and a molecular weight of 912.09 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID153368812
Molecular FormulaC64H37N3O2S
Molecular Weight912.09 g/mol
Exact Mass911.26
IUPAC Name2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)sc8ccccc89)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)cc32)cc1
InChIInChI=1S/C64H37N3O2S/c1-3-15-41(16-4-1)64(42-17-5-2-6-18-42)51-24-10-7-19-43(51)44-32-29-39(36-52(44)64)38-31-34-54-50(35-38)60-49(23-14-27-56(60)69-54)63-66-61(40-30-33-46-45-20-9-12-28-57(45)70-58(46)37-40)65-62(67-63)48-22-13-26-55-59(48)47-21-8-11-25-53(47)68-55/h1-37H
InChIKeyQPMPSLFWNIAXRR-UHFFFAOYSA-N
XLogP17.07
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.09
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153369668
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002565
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003162
2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166003111
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003091
2-dibenzothiophen-3-yl-4-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166002399
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-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153369807
2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002415
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-dibenzothiophen-3-yl-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734636
2-dibenzothiophen-1-yl-4-(2-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734614

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 153368812) is 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)sc8ccccc89)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)cc32)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is QPMPSLFWNIAXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N3O2S/c1-3-15-41(16-4-1)64(42-17-5-2-6-18-42)51-24-10-7-19-43(51)44-32-29-39(36-52(44)64)38-31-34-54-50(35-38)60-49(23-14-27-56(60)69-54)63-66-61(40-30-33-46-45-20-9-12-28-57(45)70-58(46)37-40)65-62(67-63)48-22-13-26-55-59(48)47-21-8-11-25-53(47)68-55/h1-37H.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 912.09 g/mol, XLogP of 17.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 153368812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).