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

C27H29NO — CID 155629033

IUPAC6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine
SMILESCc1cc(-c2ccc3cc(-c4ccc(C(C)C)cc4)oc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C27H29NO/c1-17(2)19-7-9-20(10-8-19)25-16-21-11-12-24(28-26(21)29-25)22-13-18(3)14-23(15-22)27(4,5)6/h7-17H,1-6H3
InChIKeyWWCBRBDCVFYNRF-UHFFFAOYSA-N
MW383.54 g/mol
LogP7.89
Rot. Bonds3

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

6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine (PubChem CID 155629033) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine.

Molecular Properties

Compound Name6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine
PubChem CID155629033
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine
SMILESCc1cc(-c2ccc3cc(-c4ccc(C(C)C)cc4)oc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C27H29NO/c1-17(2)19-7-9-20(10-8-19)25-16-21-11-12-24(28-26(21)29-25)22-13-18(3)14-23(15-22)27(4,5)6/h7-17H,1-6H3
InChIKeyWWCBRBDCVFYNRF-UHFFFAOYSA-N
XLogP7.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine
CID 155629218
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
2-(3-tert-butyl-5-methylphenyl)-6-propan-2-ylquinazoline
CID 167209607
7-chloro-2-(3,5-dimethylphenyl)quinoline;2-(3,5-dimethylphenyl)-7-(4-propan-2-ylphenyl)quinoline
CID 174996631
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
CID 155629261
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
CID 159604387
2-(3,5-ditert-butylphenyl)-6-phenylfuro[2,3-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628597
6-methyl-2-(4-propan-2-ylphenyl)furo[3,2-b]pyridine
CID 166668536
2-(3,5-ditert-butylphenyl)-5-(3,5-dimethylbenzene-6-id-1-yl)furo[2,3-c]pyridine;5-(3,5-dimethylbenzene-6-id-1-yl)-2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridine;5-(3,5-dimethylbenzene-6-id-1-yl)-2-(4-propan-2-ylphenyl)furo[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 161174618

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine?
The IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine (CID 155629033) is 6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine.
What is the SMILES notation for 6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine?
The canonical SMILES for 6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine is Cc1cc(-c2ccc3cc(-c4ccc(C(C)C)cc4)oc3n2)cc(C(C)(C)C)c1.
What is the InChIKey of 6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine?
The InChIKey is WWCBRBDCVFYNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-17(2)19-7-9-20(10-8-19)25-16-21-11-12-24(28-26(21)29-25)22-13-18(3)14-23(15-22)27(4,5)6/h7-17H,1-6H3.
What are the key properties of 6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine?
6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine has a molecular weight of 383.54 g/mol, XLogP of 7.89, 3 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-propan-2-ylphenyl)furo[2,3-b]pyridine is sourced from PubChem (CID 155629033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).