4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine

C46H32N2 — CID 59845098

IUPAC4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nccc(-c3ccc4c5c3ccc3ccc6c(-c7ccnc8c7C(C)(C)c7ccccc7-8)ccc-4c6c35)c21
InChIInChI=1S/C46H32N2/c1-45(2)36-11-7-5-9-34(36)43-41(45)32(21-23-47-43)26-17-19-30-31-20-18-27(29-16-14-25-13-15-28(26)39(30)38(25)40(29)31)33-22-24-48-44-35-10-6-8-12-37(35)46(3,4)42(33)44/h5-24H,1-4H3
InChIKeyFTKCBRRITFPKFY-UHFFFAOYSA-N
MW612.78 g/mol
LogP11.86
Rot. Bonds2

About 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine

4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59845098) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59845098
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nccc(-c3ccc4c5c3ccc3ccc6c(-c7ccnc8c7C(C)(C)c7ccccc7-8)ccc-4c6c35)c21
InChIInChI=1S/C46H32N2/c1-45(2)36-11-7-5-9-34(36)43-41(45)32(21-23-47-43)26-17-19-30-31-20-18-27(29-16-14-25-13-15-28(26)39(30)38(25)40(29)31)33-22-24-48-44-35-10-6-8-12-37(35)46(3,4)42(33)44/h5-24H,1-4H3
InChIKeyFTKCBRRITFPKFY-UHFFFAOYSA-N
XLogP11.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine (CID 59845098) is 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2nccc(-c3ccc4c5c3ccc3ccc6c(-c7ccnc8c7C(C)(C)c7ccccc7-8)ccc-4c6c35)c21.
What is the InChIKey of 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is FTKCBRRITFPKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-45(2)36-11-7-5-9-34(36)43-41(45)32(21-23-47-43)26-17-19-30-31-20-18-27(29-16-14-25-13-15-28(26)39(30)38(25)40(29)31)33-22-24-48-44-35-10-6-8-12-37(35)46(3,4)42(33)44/h5-24H,1-4H3.
What are the key properties of 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine?
4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 612.78 g/mol, XLogP of 11.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[14-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59845098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).