3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine

C31H19NO — CID 118944273

IUPAC3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3cc4ccccc4c4c3oc3cc5ccccc5cc34)cc2)c1
InChIInChI=1S/C31H19NO/c1-2-7-23-18-29-28(16-22(23)6-1)30-26-10-4-3-8-24(26)17-27(31(30)33-29)21-13-11-20(12-14-21)25-9-5-15-32-19-25/h1-19H
InChIKeySDTNOFBFHKPPKN-UHFFFAOYSA-N
MW421.50 g/mol
LogP8.62
Rot. Bonds2

About 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine

3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine (PubChem CID 118944273) has the molecular formula C31H19NO and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine
PubChem CID118944273
Molecular FormulaC31H19NO
Molecular Weight421.50 g/mol
Exact Mass421.15
IUPAC Name3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3cc4ccccc4c4c3oc3cc5ccccc5cc34)cc2)c1
InChIInChI=1S/C31H19NO/c1-2-7-23-18-29-28(16-22(23)6-1)30-26-10-4-3-8-24(26)17-27(31(30)33-29)21-13-11-20(12-14-21)25-9-5-15-32-19-25/h1-19H
InChIKeySDTNOFBFHKPPKN-UHFFFAOYSA-N
XLogP8.62
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 ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine 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

10-[3,5-bis(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 121325371
2,5-bis(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine
CID 121325363
10-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 121325314
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844541
10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 121325330
2-(25-oxahexacyclo[12.11.0.02,11.03,8.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-13-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166845319
10-[4-(4-isocyanophenyl)naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 140705964
2-[3,5-di(anthracen-1-yl)phenyl]-4-dibenzofuran-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466365
2-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-3-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)aniline
CID 167363487
9-methoxy-6-phenylnaphtho[2,1-b][1]benzofuran
CID 155128175
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583

Frequently Asked Questions

What is the IUPAC name of 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine?
The IUPAC name of 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine (CID 118944273) is 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine.
What is the SMILES notation for 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine?
The canonical SMILES for 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine is c1cncc(-c2ccc(-c3cc4ccccc4c4c3oc3cc5ccccc5cc34)cc2)c1.
What is the InChIKey of 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine?
The InChIKey is SDTNOFBFHKPPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NO/c1-2-7-23-18-29-28(16-22(23)6-1)30-26-10-4-3-8-24(26)17-27(31(30)33-29)21-13-11-20(12-14-21)25-9-5-15-32-19-25/h1-19H.
What are the key properties of 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine?
3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine has a molecular weight of 421.50 g/mol, XLogP of 8.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]pyridine is sourced from PubChem (CID 118944273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).