2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine

C42H40N4O — CID 164760528

IUPAC2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine
SMILESCc1cnc(-c2cccc3c2oc2c(-c4cccc(-c5ccc(-c6nc(C(C)(C)C)nc(C(C)(C)C)n6)cc5)c4)cccc23)cc1C
InChIInChI=1S/C42H40N4O/c1-25-22-35(43-24-26(25)2)34-17-11-16-33-32-15-10-14-31(36(32)47-37(33)34)30-13-9-12-29(23-30)27-18-20-28(21-19-27)38-44-39(41(3,4)5)46-40(45-38)42(6,7)8/h9-24H,1-8H3
InChIKeyYYFZHDGWUMMPIO-UHFFFAOYSA-N
MW616.81 g/mol
LogP11.05
Rot. Bonds4

About 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine

2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 164760528) has the molecular formula C42H40N4O and a molecular weight of 616.81 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine
PubChem CID164760528
Molecular FormulaC42H40N4O
Molecular Weight616.81 g/mol
Exact Mass616.32
IUPAC Name2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine
SMILESCc1cnc(-c2cccc3c2oc2c(-c4cccc(-c5ccc(-c6nc(C(C)(C)C)nc(C(C)(C)C)n6)cc5)c4)cccc23)cc1C
InChIInChI=1S/C42H40N4O/c1-25-22-35(43-24-26(25)2)34-17-11-16-33-32-15-10-14-31(36(32)47-37(33)34)30-13-9-12-29(23-30)27-18-20-28(21-19-27)38-44-39(41(3,4)5)46-40(45-38)42(6,7)8/h9-24H,1-8H3
InChIKeyYYFZHDGWUMMPIO-UHFFFAOYSA-N
XLogP11.05
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 166496399
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine
CID 123394368
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
3-[6-(2,6-ditert-butylpyrimidin-4-yl)dibenzofuran-4-yl]isoquinoline
CID 176787855
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine (CID 164760528) is 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine is Cc1cnc(-c2cccc3c2oc2c(-c4cccc(-c5ccc(-c6nc(C(C)(C)C)nc(C(C)(C)C)n6)cc5)c4)cccc23)cc1C.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine?
The InChIKey is YYFZHDGWUMMPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4O/c1-25-22-35(43-24-26(25)2)34-17-11-16-33-32-15-10-14-31(36(32)47-37(33)34)30-13-9-12-29(23-30)27-18-20-28(21-19-27)38-44-39(41(3,4)5)46-40(45-38)42(6,7)8/h9-24H,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine?
2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 616.81 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 164760528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).