6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine

C28H31NO — CID 155629218

IUPAC6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine
SMILESCc1cc(-c2ccc3cc(-c4ccc(C(C)(C)C)cc4)oc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H31NO/c1-18-14-21(16-23(15-18)28(5,6)7)24-13-10-20-17-25(30-26(20)29-24)19-8-11-22(12-9-19)27(2,3)4/h8-17H,1-7H3
InChIKeyKWYASUIYOMDJDC-UHFFFAOYSA-N
MW397.56 g/mol
LogP8.07
Rot. Bonds2

About 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine

6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine (PubChem CID 155629218) has the molecular formula C28H31NO and a molecular weight of 397.56 g/mol. Its IUPAC name is 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine.

Molecular Properties

Compound Name6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine
PubChem CID155629218
Molecular FormulaC28H31NO
Molecular Weight397.56 g/mol
Exact Mass397.24
IUPAC Name6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine
SMILESCc1cc(-c2ccc3cc(-c4ccc(C(C)(C)C)cc4)oc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H31NO/c1-18-14-21(16-23(15-18)28(5,6)7)24-13-10-20-17-25(30-26(20)29-24)19-8-11-22(12-9-19)27(2,3)4/h8-17H,1-7H3
InChIKeyKWYASUIYOMDJDC-UHFFFAOYSA-N
XLogP8.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine
CID 155629033
2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine
CID 155628492
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
CID 159604387
6-phenyl-2-(2,4,6-trimethylphenyl)furo[2,3-b]pyridine
CID 155628870
2,6-bis(4-tert-butylphenyl)furo[2,3-f][1]benzofuran
CID 102326421
2-(3,5-ditert-butylphenyl)-6-phenylfuro[2,3-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628597
2,6-bis(3,5-ditert-butylphenyl)pyridine
CID 102450802
5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
CID 155629261
5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626713
2-(4-tert-butylphenyl)-1-benzofuran-6-carbaldehyde
CID 129115921

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine?
The IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine (CID 155629218) is 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine.
What is the SMILES notation for 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine?
The canonical SMILES for 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine is Cc1cc(-c2ccc3cc(-c4ccc(C(C)(C)C)cc4)oc3n2)cc(C(C)(C)C)c1.
What is the InChIKey of 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine?
The InChIKey is KWYASUIYOMDJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO/c1-18-14-21(16-23(15-18)28(5,6)7)24-13-10-20-17-25(30-26(20)29-24)19-8-11-22(12-9-19)27(2,3)4/h8-17H,1-7H3.
What are the key properties of 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine?
6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine has a molecular weight of 397.56 g/mol, XLogP of 8.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine is sourced from PubChem (CID 155629218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).