3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran

C27H30O — CID 164845409

IUPAC3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran
SMILESCc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc2c1oc1ccccc12
InChIInChI=1S/C27H30O/c1-17-21(12-13-23-22-10-8-9-11-24(22)28-25(17)23)18-14-19(26(2,3)4)16-20(15-18)27(5,6)7/h8-16H,1-7H3
InChIKeyBGSSMEPZSQRHJY-UHFFFAOYSA-N
MW370.54 g/mol
LogP8.16
Rot. Bonds1

About 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran

3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran (PubChem CID 164845409) has the molecular formula C27H30O and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran.

Molecular Properties

Compound Name3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran
PubChem CID164845409
Molecular FormulaC27H30O
Molecular Weight370.54 g/mol
Exact Mass370.23
IUPAC Name3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran
SMILESCc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc2c1oc1ccccc12
InChIInChI=1S/C27H30O/c1-17-21(12-13-23-22-10-8-9-11-24(22)28-25(17)23)18-14-19(26(2,3)4)16-20(15-18)27(5,6)7/h8-16H,1-7H3
InChIKeyBGSSMEPZSQRHJY-UHFFFAOYSA-N
XLogP8.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
CID 166921667
18-(3,5-ditert-butylphenyl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348364
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine
CID 170296839
3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170296885
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
CID 170300046
17-(4-tert-butyl-2,6-dimethylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene;17-(3,5-ditert-butylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene;17-(2-methyl-6-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene;17-(4-methyl-2-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene;17-(5-methyl-2-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene
CID 158852720
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
4-[3-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]dibenzofuran
CID 58273508

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran?
The IUPAC name of 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran (CID 164845409) is 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran.
What is the SMILES notation for 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran?
The canonical SMILES for 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran is Cc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc2c1oc1ccccc12.
What is the InChIKey of 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran?
The InChIKey is BGSSMEPZSQRHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O/c1-17-21(12-13-23-22-10-8-9-11-24(22)28-25(17)23)18-14-19(26(2,3)4)16-20(15-18)27(5,6)7/h8-16H,1-7H3.
What are the key properties of 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran?
3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran has a molecular weight of 370.54 g/mol, XLogP of 8.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran is sourced from PubChem (CID 164845409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).