2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine

C31H19NO — CID 139497654

IUPAC2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine
SMILESc1ccc(-c2cccc(-c3oc4cccc5c4c3-c3ccccc3-c3ccccc3-5)n2)cc1
InChIInChI=1S/C31H19NO/c1-2-10-20(11-3-1)26-17-9-18-27(32-26)31-30-25-15-7-6-14-23(25)21-12-4-5-13-22(21)24-16-8-19-28(33-31)29(24)30/h1-19H
InChIKeyOUPMSXXPVOWUAJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP8.48
Rot. Bonds2

About 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine

2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine (PubChem CID 139497654) has the molecular formula C31H19NO and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine.

Molecular Properties

Compound Name2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine
PubChem CID139497654
Molecular FormulaC31H19NO
Molecular Weight421.50 g/mol
Exact Mass421.15
IUPAC Name2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine
SMILESc1ccc(-c2cccc(-c3oc4cccc5c4c3-c3ccccc3-c3ccccc3-5)n2)cc1
InChIInChI=1S/C31H19NO/c1-2-10-20(11-3-1)26-17-9-18-27(32-26)31-30-25-15-7-6-14-23(25)21-12-4-5-13-22(21)24-16-8-19-28(33-31)29(24)30/h1-19H
InChIKeyOUPMSXXPVOWUAJ-UHFFFAOYSA-N
XLogP8.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-4,6-diphenyl-1,3,5-triazine
CID 149342130
2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine
CID 164962191
4-dibenzofuran-1-yl-2-phenylquinoline
CID 146337940
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 171761185
2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
CID 59236801
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine
CID 146396782
2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine
CID 129303723

Frequently Asked Questions

What is the IUPAC name of 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine?
The IUPAC name of 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine (CID 139497654) is 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine.
What is the SMILES notation for 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine?
The canonical SMILES for 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine is c1ccc(-c2cccc(-c3oc4cccc5c4c3-c3ccccc3-c3ccccc3-5)n2)cc1.
What is the InChIKey of 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine?
The InChIKey is OUPMSXXPVOWUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NO/c1-2-10-20(11-3-1)26-17-9-18-27(32-26)31-30-25-15-7-6-14-23(25)21-12-4-5-13-22(21)24-16-8-19-28(33-31)29(24)30/h1-19H.
What are the key properties of 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine?
2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine has a molecular weight of 421.50 g/mol, XLogP of 8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine is sourced from PubChem (CID 139497654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).