4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran

C38H38O — CID 170924880

IUPAC4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran
SMILESCC(C)(C)c1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C38H38O/c1-37(2,3)31-19-28(18-29(20-31)32-8-6-9-34-33-7-4-5-10-35(33)39-36(32)34)27-11-13-30(14-12-27)38-21-24-15-25(22-38)17-26(16-24)23-38/h4-14,18-20,24-26H,15-17,21-23H2,1-3H3
InChIKeyGREAYZYNDNCCRX-UHFFFAOYSA-N
MW510.72 g/mol
LogP10.69
Rot. Bonds3

About 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran

4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran (PubChem CID 170924880) has the molecular formula C38H38O and a molecular weight of 510.72 g/mol. Its IUPAC name is 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran
PubChem CID170924880
Molecular FormulaC38H38O
Molecular Weight510.72 g/mol
Exact Mass510.29
IUPAC Name4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran
SMILESCC(C)(C)c1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C38H38O/c1-37(2,3)31-19-28(18-29(20-31)32-8-6-9-34-33-7-4-5-10-35(33)39-36(32)34)27-11-13-30(14-12-27)38-21-24-15-25(22-38)17-26(16-24)23-38/h4-14,18-20,24-26H,15-17,21-23H2,1-3H3
InChIKeyGREAYZYNDNCCRX-UHFFFAOYSA-N
XLogP10.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.72
LogP ≤ 510.69
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
1-[4-(3-tert-butyl-5-phenylphenyl)phenyl]adamantane
CID 168808380
2-[3-[4-(1-adamantyl)phenyl]-5-(4-deuteriophenyl)phenyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 169054827
4-[3-[4-(1-adamantyl)phenyl]-5-dibenzofuran-4-ylphenyl]-6-(3-isocyanophenyl)-2-phenylpyrimidine
CID 168808033
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028672
2,4-bis[4-(1-adamantyl)phenyl]-6-[7-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 169055138
2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170924890
2-[3-[4-(1-adamantyl)phenyl]-5-pyridin-4-ylphenyl]-4-dibenzofuran-4-yl-6-(2,8-diphenyldibenzofuran-4-yl)-1,3,5-triazine
CID 169054639
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-(1-adamantyl)-6-tert-butyldibenzofuran
CID 170924887
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169055032

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran?
The IUPAC name of 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran (CID 170924880) is 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran?
The canonical SMILES for 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran is CC(C)(C)c1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran?
The InChIKey is GREAYZYNDNCCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38O/c1-37(2,3)31-19-28(18-29(20-31)32-8-6-9-34-33-7-4-5-10-35(33)39-36(32)34)27-11-13-30(14-12-27)38-21-24-15-25(22-38)17-26(16-24)23-38/h4-14,18-20,24-26H,15-17,21-23H2,1-3H3.
What are the key properties of 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran?
4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran has a molecular weight of 510.72 g/mol, XLogP of 10.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran is sourced from PubChem (CID 170924880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).