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

C60H37N3O2S — CID 166003181

IUPAC2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)cc3)cc21
InChIInChI=1S/C60H37N3O2S/c1-60(2)47-16-6-3-11-39(47)40-28-25-37(33-48(40)60)35-23-21-34(22-24-35)36-26-29-50-46(31-36)56-44(15-10-19-52(56)65-50)59-62-57(38-27-30-54-45(32-38)41-12-5-8-20-53(41)66-54)61-58(63-59)43-14-9-18-51-55(43)42-13-4-7-17-49(42)64-51/h3-33H,1-2H3
InChIKeyICFVRRYAESRKHE-UHFFFAOYSA-N
MW864.04 g/mol
LogP16.68
Rot. Bonds5

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

2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166003181) has the molecular formula C60H37N3O2S and a molecular weight of 864.04 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID166003181
Molecular FormulaC60H37N3O2S
Molecular Weight864.04 g/mol
Exact Mass863.26
IUPAC Name2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)cc3)cc21
InChIInChI=1S/C60H37N3O2S/c1-60(2)47-16-6-3-11-39(47)40-28-25-37(33-48(40)60)35-23-21-34(22-24-35)36-26-29-50-46(31-36)56-44(15-10-19-52(56)65-50)59-62-57(38-27-30-54-45(32-38)41-12-5-8-20-53(41)66-54)61-58(63-59)43-14-9-18-51-55(43)42-13-4-7-17-49(42)64-51/h3-33H,1-2H3
InChIKeyICFVRRYAESRKHE-UHFFFAOYSA-N
XLogP16.68
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.04
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-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-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
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-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-2-yl-4-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002845
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-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 146964230
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-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369481
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2,4-di(dibenzofuran-1-yl)-6-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368778

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)cc3)cc21.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is ICFVRRYAESRKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O2S/c1-60(2)47-16-6-3-11-39(47)40-28-25-37(33-48(40)60)35-23-21-34(22-24-35)36-26-29-50-46(31-36)56-44(15-10-19-52(56)65-50)59-62-57(38-27-30-54-45(32-38)41-12-5-8-20-53(41)66-54)61-58(63-59)43-14-9-18-51-55(43)42-13-4-7-17-49(42)64-51/h3-33H,1-2H3.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 864.04 g/mol, XLogP of 16.68, 5 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-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166003181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).