2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine

C45H47N3O — CID 177242592

IUPAC2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(c2c1)C(c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)=CCC3C(C)(C)C
InChIInChI=1S/C45H47N3O/c1-43(2,3)30-26-34-37-32(24-25-35(44(4,5)6)39(37)49-38(34)36(27-30)45(7,8)9)31-22-16-17-23-33(31)42-47-40(28-18-12-10-13-19-28)46-41(48-42)29-20-14-11-15-21-29/h10-24,26-27,35H,25H2,1-9H3
InChIKeyAFYPBQVHZXXEAC-UHFFFAOYSA-N
MW645.89 g/mol
LogP12.18
Rot. Bonds4

About 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine (PubChem CID 177242592) has the molecular formula C45H47N3O and a molecular weight of 645.89 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine
PubChem CID177242592
Molecular FormulaC45H47N3O
Molecular Weight645.89 g/mol
Exact Mass645.37
IUPAC Name2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(c2c1)C(c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)=CCC3C(C)(C)C
InChIInChI=1S/C45H47N3O/c1-43(2,3)30-26-34-37-32(24-25-35(44(4,5)6)39(37)49-38(34)36(27-30)45(7,8)9)31-22-16-17-23-33(31)42-47-40(28-18-12-10-13-19-28)46-41(48-42)29-20-14-11-15-21-29/h10-24,26-27,35H,25H2,1-9H3
InChIKeyAFYPBQVHZXXEAC-UHFFFAOYSA-N
XLogP12.18
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.89
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 177242681
5,7-ditert-butyl-3-phenyl-1-benzofuran-2-amine
CID 11393088
2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 177242641
4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline
CID 177242586
1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 146281225
2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161396078
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
2-[2',7'-bis(2,4,6-tritert-butylphenyl)-9,9'-spirobi[fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168909014
2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 177242649
2-(2-tert-butylphenyl)-4-phenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 169296963
2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 177242613
2-[3-chloro-5-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160958371

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine (CID 177242592) is 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine is CC(C)(C)c1cc(C(C)(C)C)c2oc3c(c2c1)C(c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)=CCC3C(C)(C)C.
What is the InChIKey of 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine?
The InChIKey is AFYPBQVHZXXEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47N3O/c1-43(2,3)30-26-34-37-32(24-25-35(44(4,5)6)39(37)49-38(34)36(27-30)45(7,8)9)31-22-16-17-23-33(31)42-47-40(28-18-12-10-13-19-28)46-41(48-42)29-20-14-11-15-21-29/h10-24,26-27,35H,25H2,1-9H3.
What are the key properties of 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 645.89 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-(4,6,8-tritert-butyl-3,4-dihydrodibenzofuran-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 177242592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).