4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine

C29H27NO — CID 171576718

IUPAC4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine
SMILESCc1cccc2oc3c(-c4cc(-c5ccc(C(C)(C)C)cc5)ccn4)ccc(C)c3c12
InChIInChI=1S/C29H27NO/c1-18-7-6-8-25-26(18)27-19(2)9-14-23(28(27)31-25)24-17-21(15-16-30-24)20-10-12-22(13-11-20)29(3,4)5/h6-17H,1-5H3
InChIKeyXHEYJAVTNVLCBH-UHFFFAOYSA-N
MW405.54 g/mol
LogP8.23
Rot. Bonds2

About 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine

4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine (PubChem CID 171576718) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine
PubChem CID171576718
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC Name4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine
SMILESCc1cccc2oc3c(-c4cc(-c5ccc(C(C)(C)C)cc5)ccn4)ccc(C)c3c12
InChIInChI=1S/C29H27NO/c1-18-7-6-8-25-26(18)27-19(2)9-14-23(28(27)31-25)24-17-21(15-16-30-24)20-10-12-22(13-11-20)29(3,4)5/h6-17H,1-5H3
InChIKeyXHEYJAVTNVLCBH-UHFFFAOYSA-N
XLogP8.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine
CID 171576860
9-tert-butyl-6-[4-(4-tert-butylphenyl)-2-pyridinyl]-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 176728745
4-(5,15-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-2-yl)-2-phenylpyridine
CID 164802783
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
6-[4-(4-tert-butylphenyl)-2-pyridinyl]-9-(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 176728815
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
2-(2,4-dimethylphenyl)-4-phenylpyridine
CID 166502806

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine (CID 171576718) is 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine is Cc1cccc2oc3c(-c4cc(-c5ccc(C(C)(C)C)cc5)ccn4)ccc(C)c3c12.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine?
The InChIKey is XHEYJAVTNVLCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO/c1-18-7-6-8-25-26(18)27-19(2)9-14-23(28(27)31-25)24-17-21(15-16-30-24)20-10-12-22(13-11-20)29(3,4)5/h6-17H,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine?
4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine has a molecular weight of 405.54 g/mol, XLogP of 8.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 171576718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).