2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine

C27H29NO — CID 155626706

IUPAC2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine
SMILESCC(C)(C)c1cc(-c2cc3cnc(-c4ccccc4)cc3o2)cc(C(C)(C)C)c1
InChIInChI=1S/C27H29NO/c1-26(2,3)21-12-19(13-22(15-21)27(4,5)6)24-14-20-17-28-23(16-25(20)29-24)18-10-8-7-9-11-18/h7-17H,1-6H3
InChIKeyPZZGYGHJDWUOBY-UHFFFAOYSA-N
MW383.54 g/mol
LogP7.76
Rot. Bonds2

About 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine

2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine (PubChem CID 155626706) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine.

Molecular Properties

Compound Name2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine
PubChem CID155626706
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine
SMILESCC(C)(C)c1cc(-c2cc3cnc(-c4ccccc4)cc3o2)cc(C(C)(C)C)c1
InChIInChI=1S/C27H29NO/c1-26(2,3)21-12-19(13-22(15-21)27(4,5)6)24-14-20-17-28-23(16-25(20)29-24)18-10-8-7-9-11-18/h7-17H,1-6H3
InChIKeyPZZGYGHJDWUOBY-UHFFFAOYSA-N
XLogP7.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine
CID 155628521
3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline
CID 162707825
5-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-phenylfuro[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626772
6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
CID 154728765
6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
(4-tert-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140710315
2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 158357128
2,6-bis(4-tert-butylphenyl)furo[2,3-f][1]benzofuran
CID 102326421
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-fluorophenyl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626096
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-propan-2-ylphenyl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626517
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine?
The IUPAC name of 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine (CID 155626706) is 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine.
What is the SMILES notation for 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine?
The canonical SMILES for 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine is CC(C)(C)c1cc(-c2cc3cnc(-c4ccccc4)cc3o2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine?
The InChIKey is PZZGYGHJDWUOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-26(2,3)21-12-19(13-22(15-21)27(4,5)6)24-14-20-17-28-23(16-25(20)29-24)18-10-8-7-9-11-18/h7-17H,1-6H3.
What are the key properties of 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine?
2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine has a molecular weight of 383.54 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine is sourced from PubChem (CID 155626706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).