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

C45H25NO2 — CID 121325363

IUPAC2,5-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
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc2)cc2ccccc2c13
InChIInChI=1S/C45H25NO2/c1-3-11-28-23-40-37(19-26(28)9-1)42-33-15-7-5-13-30(33)21-35(44(42)47-40)32-17-18-39(46-25-32)36-22-31-14-6-8-16-34(31)43-38-20-27-10-2-4-12-29(27)24-41(38)48-45(36)43/h1-25H
InChIKeyRRRUOXXQNZIGBU-UHFFFAOYSA-N
MW611.70 g/mol
LogP12.83
Rot. Bonds2

About 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

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 (PubChem CID 121325363) has the molecular formula C45H25NO2 and a molecular weight of 611.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID121325363
Molecular FormulaC45H25NO2
Molecular Weight611.70 g/mol
Exact Mass611.19
IUPAC Name2,5-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
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc2)cc2ccccc2c13
InChIInChI=1S/C45H25NO2/c1-3-11-28-23-40-37(19-26(28)9-1)42-33-15-7-5-13-30(33)21-35(44(42)47-40)32-17-18-39(46-25-32)36-22-31-14-6-8-16-34(31)43-38-20-27-10-2-4-12-29(27)24-41(38)48-45(36)43/h1-25H
InChIKeyRRRUOXXQNZIGBU-UHFFFAOYSA-N
XLogP12.83
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.70
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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
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
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
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-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 134531225
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-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-phenanthren-9-ylanthracen-9-yl)pyridine
CID 134530996
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-ylboronic acid
CID 153454258
5-(benzenesulfonyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyridine
CID 122581031
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
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531262
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc3c(cc2c1)oc1c(-c2ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc2)cc2ccccc2c13.
What is the InChIKey of 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?
The InChIKey is RRRUOXXQNZIGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25NO2/c1-3-11-28-23-40-37(19-26(28)9-1)42-33-15-7-5-13-30(33)21-35(44(42)47-40)32-17-18-39(46-25-32)36-22-31-14-6-8-16-34(31)43-38-20-27-10-2-4-12-29(27)24-41(38)48-45(36)43/h1-25H.
What are the key properties of 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?
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 has a molecular weight of 611.70 g/mol, XLogP of 12.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121325363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).