8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene

C33H24N2O — CID 162708303

IUPAC8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
SMILESCC(C)(c1ccccc1)c1ccnc(-c2cccc3c2oc2nc4c(ccc5ccccc54)cc23)c1
InChIInChI=1S/C33H24N2O/c1-33(2,23-10-4-3-5-11-23)24-17-18-34-29(20-24)27-14-8-13-26-28-19-22-16-15-21-9-6-7-12-25(21)30(22)35-32(28)36-31(26)27/h3-20H,1-2H3
InChIKeyCRHWQPSPXUDFBI-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.68
Rot. Bonds3

About 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene

8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene (PubChem CID 162708303) has the molecular formula C33H24N2O and a molecular weight of 464.57 g/mol. Its IUPAC name is 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene.

Molecular Properties

Compound Name8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
PubChem CID162708303
Molecular FormulaC33H24N2O
Molecular Weight464.57 g/mol
Exact Mass464.19
IUPAC Name8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
SMILESCC(C)(c1ccccc1)c1ccnc(-c2cccc3c2oc2nc4c(ccc5ccccc54)cc23)c1
InChIInChI=1S/C33H24N2O/c1-33(2,23-10-4-3-5-11-23)24-17-18-34-29(20-24)27-14-8-13-26-28-19-22-16-15-21-9-6-7-12-25(21)30(22)35-32(28)36-31(26)27/h3-20H,1-2H3
InChIKeyCRHWQPSPXUDFBI-UHFFFAOYSA-N
XLogP8.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene with MolForge

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Related Compounds

4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
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4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
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2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
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CID 174072504
CID 174072504
2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611964
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
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2-[6-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707082
2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-(2-phenylpropan-2-yl)pyridine
CID 162707939
1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
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8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?
The IUPAC name of 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene (CID 162708303) is 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene.
What is the SMILES notation for 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?
The canonical SMILES for 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene is CC(C)(c1ccccc1)c1ccnc(-c2cccc3c2oc2nc4c(ccc5ccccc54)cc23)c1.
What is the InChIKey of 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?
The InChIKey is CRHWQPSPXUDFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O/c1-33(2,23-10-4-3-5-11-23)24-17-18-34-29(20-24)27-14-8-13-26-28-19-22-16-15-21-9-6-7-12-25(21)30(22)35-32(28)36-31(26)27/h3-20H,1-2H3.
What are the key properties of 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?
8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene has a molecular weight of 464.57 g/mol, XLogP of 8.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene is sourced from PubChem (CID 162708303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).