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

C34H25NO — CID 162707939

IUPAC2-(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
SMILESCC(C)(c1ccccc1)c1ccnc(-c2ccc3oc4ccc5ccc6ccccc6c5c4c3c2)c1
InChIInChI=1S/C34H25NO/c1-34(2,25-9-4-3-5-10-25)26-18-19-35-29(21-26)24-15-16-30-28(20-24)33-31(36-30)17-14-23-13-12-22-8-6-7-11-27(22)32(23)33/h3-21H,1-2H3
InChIKeyPCSGKNSLEUCEJJ-UHFFFAOYSA-N
MW463.58 g/mol
LogP9.28
Rot. Bonds3

About 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

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 (PubChem CID 162707939) has the molecular formula C34H25NO and a molecular weight of 463.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID162707939
Molecular FormulaC34H25NO
Molecular Weight463.58 g/mol
Exact Mass463.19
IUPAC Name2-(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
SMILESCC(C)(c1ccccc1)c1ccnc(-c2ccc3oc4ccc5ccc6ccccc6c5c4c3c2)c1
InChIInChI=1S/C34H25NO/c1-34(2,25-9-4-3-5-10-25)26-18-19-35-29(21-26)24-15-16-30-28(20-24)33-31(36-30)17-14-23-13-12-22-8-6-7-11-27(22)32(23)33/h3-21H,1-2H3
InChIKeyPCSGKNSLEUCEJJ-UHFFFAOYSA-N
XLogP9.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
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)-5-propan-2-ylquinoline
CID 154600584
19-(4-tert-butyl-2-pyridinyl)-10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16(21),17,19,22(26),23-dodecaene
CID 164803201
10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran
CID 139341198
4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine
CID 166574902
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphtho[2,1-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
CID 154613999
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-phenanthren-2-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 176877771
5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
CID 162708883
4-(12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl)-2-phenylpyridine
CID 164802757
5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 149259214

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1ccccc1)c1ccnc(-c2ccc3oc4ccc5ccc6ccccc6c5c4c3c2)c1.
What is the InChIKey of 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?
The InChIKey is PCSGKNSLEUCEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25NO/c1-34(2,25-9-4-3-5-10-25)26-18-19-35-29(21-26)24-15-16-30-28(20-24)33-31(36-30)17-14-23-13-12-22-8-6-7-11-27(22)32(23)33/h3-21H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 463.58 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162707939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).