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

C60H39N3OS — CID 153369475

IUPAC2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)cc3)ccc21
InChIInChI=1S/C60H39N3OS/c1-60(2)49-18-8-6-14-43(49)47-34-41(30-32-50(47)60)38-22-24-39(25-23-38)42-31-33-51-48(35-42)55-45(16-10-19-52(55)64-51)58-61-57(40-28-26-37(27-29-40)36-12-4-3-5-13-36)62-59(63-58)46-17-11-21-54-56(46)44-15-7-9-20-53(44)65-54/h3-35H,1-2H3
InChIKeyRDALRPLMXJRPIJ-UHFFFAOYSA-N
MW850.06 g/mol
LogP16.45
Rot. Bonds6

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

2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 153369475) has the molecular formula C60H39N3OS and a molecular weight of 850.06 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID153369475
Molecular FormulaC60H39N3OS
Molecular Weight850.06 g/mol
Exact Mass849.28
IUPAC Name2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)cc3)ccc21
InChIInChI=1S/C60H39N3OS/c1-60(2)49-18-8-6-14-43(49)47-34-41(30-32-50(47)60)38-22-24-39(25-23-38)42-31-33-51-48(35-42)55-45(16-10-19-52(55)64-51)58-61-57(40-28-26-37(27-29-40)36-12-4-3-5-13-36)62-59(63-58)46-17-11-21-54-56(46)44-15-7-9-20-53(44)65-54/h3-35H,1-2H3
InChIKeyRDALRPLMXJRPIJ-UHFFFAOYSA-N
XLogP16.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.06
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
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
2,4-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-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166003007
2,4-di(dibenzofuran-1-yl)-6-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368778
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-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002430
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003181

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)cc3)ccc21.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is RDALRPLMXJRPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3OS/c1-60(2)49-18-8-6-14-43(49)47-34-41(30-32-50(47)60)38-22-24-39(25-23-38)42-31-33-51-48(35-42)55-45(16-10-19-52(55)64-51)58-61-57(40-28-26-37(27-29-40)36-12-4-3-5-13-36)62-59(63-58)46-17-11-21-54-56(46)44-15-7-9-20-53(44)65-54/h3-35H,1-2H3.
What are the key properties of 2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 850.06 g/mol, XLogP of 16.45, 6 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-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153369475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).