4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine

C36H32N2O3 — CID 162777491

IUPAC4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)c4oc5cccc6oc3c4c65)c2)nc1
InChIInChI=1S/C36H32N2O3/c1-35(2,3)22-15-16-37-27(18-22)25-19-30(34-32-31-28(40-33(25)32)11-8-12-29(31)41-34)39-24-10-7-9-21(17-24)26-14-13-23(20-38-26)36(4,5)6/h7-20H,1-6H3
InChIKeyPTVWDASNAWYWRE-UHFFFAOYSA-N
MW540.66 g/mol
LogP10.28
Rot. Bonds4

About 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine

4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine (PubChem CID 162777491) has the molecular formula C36H32N2O3 and a molecular weight of 540.66 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine
PubChem CID162777491
Molecular FormulaC36H32N2O3
Molecular Weight540.66 g/mol
Exact Mass540.24
IUPAC Name4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)c4oc5cccc6oc3c4c65)c2)nc1
InChIInChI=1S/C36H32N2O3/c1-35(2,3)22-15-16-37-27(18-22)25-19-30(34-32-31-28(40-33(25)32)11-8-12-29(31)41-34)39-24-10-7-9-21(17-24)26-14-13-23(20-38-26)36(4,5)6/h7-20H,1-6H3
InChIKeyPTVWDASNAWYWRE-UHFFFAOYSA-N
XLogP10.28
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6-oxa-14-thiatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaen-2-yl]pyridine
CID 162777485
4-tert-butyl-2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine
CID 162777204
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline
CID 153428997
4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
CID 155386640
3-(4-tert-butyl-2-pyridinyl)-1-[3-[5-(2,6-dimethylphenyl)-2-pyridinyl]phenoxy]indolo[2,1-a]isoquinoline
CID 176766986
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-3-dibenzofuran-1-ylphenyl]-4-tert-butylpyridine
CID 153448961
4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine
CID 172528313

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine?
The IUPAC name of 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine (CID 162777491) is 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine is CC(C)(C)c1ccc(-c2cccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)c4oc5cccc6oc3c4c65)c2)nc1.
What is the InChIKey of 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine?
The InChIKey is PTVWDASNAWYWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O3/c1-35(2,3)22-15-16-37-27(18-22)25-19-30(34-32-31-28(40-33(25)32)11-8-12-29(31)41-34)39-24-10-7-9-21(17-24)26-14-13-23(20-38-26)36(4,5)6/h7-20H,1-6H3.
What are the key properties of 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine?
4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine has a molecular weight of 540.66 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine is sourced from PubChem (CID 162777491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).