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

C60H37N3O3 — CID 166002484

IUPAC2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)ccc21
InChIInChI=1S/C60H37N3O3/c1-60(2)47-19-6-3-14-39(47)45-31-36(25-28-48(45)60)34-12-9-13-35(30-34)37-26-29-51-46(32-37)56-44(18-11-23-53(56)65-51)59-62-57(38-24-27-41-40-15-4-7-20-49(40)66-54(41)33-38)61-58(63-59)43-17-10-22-52-55(43)42-16-5-8-21-50(42)64-52/h3-33H,1-2H3
InChIKeyWNEDQTDHODXKIV-UHFFFAOYSA-N
MW847.97 g/mol
LogP16.21
Rot. Bonds5

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

2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166002484) has the molecular formula C60H37N3O3 and a molecular weight of 847.97 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID166002484
Molecular FormulaC60H37N3O3
Molecular Weight847.97 g/mol
Exact Mass847.28
IUPAC Name2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)ccc21
InChIInChI=1S/C60H37N3O3/c1-60(2)47-19-6-3-14-39(47)45-31-36(25-28-48(45)60)34-12-9-13-35(30-34)37-26-29-51-46(32-37)56-44(18-11-23-53(56)65-51)59-62-57(38-24-27-41-40-15-4-7-20-49(40)66-54(41)33-38)61-58(63-59)43-17-10-22-52-55(43)42-16-5-8-21-50(42)64-52/h3-33H,1-2H3
InChIKeyWNEDQTDHODXKIV-UHFFFAOYSA-N
XLogP16.21
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.97
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220
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-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-dibenzofuran-1-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134218099
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
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-(9,9-dimethylfluoren-3-yl)-4-[3-(9-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170681343
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681282
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
2-(9,9-dimethylfluoren-1-yl)-4-(9,9-dimethylfluoren-3-yl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681235

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 166002484) is 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)ccc21.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is WNEDQTDHODXKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O3/c1-60(2)47-19-6-3-14-39(47)45-31-36(25-28-48(45)60)34-12-9-13-35(30-34)37-26-29-51-46(32-37)56-44(18-11-23-53(56)65-51)59-62-57(38-24-27-41-40-15-4-7-20-49(40)66-54(41)33-38)61-58(63-59)43-17-10-22-52-55(43)42-16-5-8-21-50(42)64-52/h3-33H,1-2H3.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 847.97 g/mol, XLogP of 16.21, 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-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166002484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).