2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine

C35H33N3O — CID 177242649

IUPAC2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC(C)(C)c1ccc2oc3c(C(C)(C)C)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2c1
InChIInChI=1S/C35H33N3O/c1-34(2,3)24-17-20-28-27(21-24)25-18-19-26(29(30(25)39-28)35(4,5)6)33-37-31(22-13-9-7-10-14-22)36-32(38-33)23-15-11-8-12-16-23/h7-21H,1-6H3
InChIKeyILAXDCCTQZYHSK-UHFFFAOYSA-N
MW511.67 g/mol
LogP9.37
Rot. Bonds3

About 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine

2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 177242649) has the molecular formula C35H33N3O and a molecular weight of 511.67 g/mol. Its IUPAC name is 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID177242649
Molecular FormulaC35H33N3O
Molecular Weight511.67 g/mol
Exact Mass511.26
IUPAC Name2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC(C)(C)c1ccc2oc3c(C(C)(C)C)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2c1
InChIInChI=1S/C35H33N3O/c1-34(2,3)24-17-20-28-27(21-24)25-18-19-26(29(30(25)39-28)35(4,5)6)33-37-31(22-13-9-7-10-14-22)36-32(38-33)23-15-11-8-12-16-23/h7-21H,1-6H3
InChIKeyILAXDCCTQZYHSK-UHFFFAOYSA-N
XLogP9.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(12-tert-butyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146431769
3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
CID 158060899
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole;9-[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole;9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole;3,6-ditert-butyl-9-[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 159376231
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
2-(4-naphtho[1,2-b][1]benzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 155474132
8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 158500156
2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402370
2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran
CID 90262330
2-[4-(3,5-diphenylphenyl)phenyl]-4-naphtho[1,2-b][1]benzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 154948000

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 177242649) is 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is CC(C)(C)c1ccc2oc3c(C(C)(C)C)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2c1.
What is the InChIKey of 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ILAXDCCTQZYHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N3O/c1-34(2,3)24-17-20-28-27(21-24)25-18-19-26(29(30(25)39-28)35(4,5)6)33-37-31(22-13-9-7-10-14-22)36-32(38-33)23-15-11-8-12-16-23/h7-21H,1-6H3.
What are the key properties of 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 511.67 g/mol, XLogP of 9.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 177242649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).