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

C33H25NO2 — CID 166043906

IUPAC4-(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
SMILESCC(C)(C)c1ccc(-c2ccnc(-c3cccc4c3oc3c4ccc4c5ccccc5oc43)c2)cc1
InChIInChI=1S/C33H25NO2/c1-33(2,3)22-13-11-20(12-14-22)21-17-18-34-28(19-21)27-9-6-8-24-26-16-15-25-23-7-4-5-10-29(23)35-31(25)32(26)36-30(24)27/h4-19H,1-3H3
InChIKeyIBLQNOZLQMWEGO-UHFFFAOYSA-N
MW467.57 g/mol
LogP9.51
Rot. Bonds2

About 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

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 (PubChem CID 166043906) has the molecular formula C33H25NO2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID166043906
Molecular FormulaC33H25NO2
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC Name4-(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
SMILESCC(C)(C)c1ccc(-c2ccnc(-c3cccc4c3oc3c4ccc4c5ccccc5oc43)c2)cc1
InChIInChI=1S/C33H25NO2/c1-33(2,3)22-13-11-20(12-14-22)21-17-18-34-28(19-21)27-9-6-8-24-26-16-15-25-23-7-4-5-10-29(23)35-31(25)32(26)36-30(24)27/h4-19H,1-3H3
InChIKeyIBLQNOZLQMWEGO-UHFFFAOYSA-N
XLogP9.51
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine
CID 171576718
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2ccnc(-c3cccc4c3oc3c4ccc4c5ccccc5oc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is IBLQNOZLQMWEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO2/c1-33(2,3)22-13-11-20(12-14-22)21-17-18-34-28(19-21)27-9-6-8-24-26-16-15-25-23-7-4-5-10-29(23)35-31(25)32(26)36-30(24)27/h4-19H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 467.57 g/mol, XLogP of 9.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166043906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).