7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 59845241

IUPAC7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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)c2cc(-c3ccc4c5c3ccc3ccc6c(-c7ccc8c(c7)C(C)(C)c7cccnc7-8)ccc-4c6c35)ccc2-c2ncccc21
InChIInChI=1S/C46H32N2/c1-45(2)36-7-5-21-47-43(36)34-15-11-26(23-38(34)45)28-17-19-32-33-20-18-29(31-14-10-25-9-13-30(28)41(32)40(25)42(31)33)27-12-16-35-39(24-27)46(3,4)37-8-6-22-48-44(35)37/h5-24H,1-4H3
InChIKeyRJHWFUQKTLOKMD-UHFFFAOYSA-N
MW612.78 g/mol
LogP11.86
Rot. Bonds2

About 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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

7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 59845241) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 Name7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 CID59845241
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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)c2cc(-c3ccc4c5c3ccc3ccc6c(-c7ccc8c(c7)C(C)(C)c7cccnc7-8)ccc-4c6c35)ccc2-c2ncccc21
InChIInChI=1S/C46H32N2/c1-45(2)36-7-5-21-47-43(36)34-15-11-26(23-38(34)45)28-17-19-32-33-20-18-29(31-14-10-25-9-13-30(28)41(32)40(25)42(31)33)27-12-16-35-39(24-27)46(3,4)37-8-6-22-48-44(35)37/h5-24H,1-4H3
InChIKeyRJHWFUQKTLOKMD-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 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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

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Related Compounds

2-[14-(5,5-dimethylindeno[1,2-b]pyridin-2-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;7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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;8-[14-(5,5-dimethylindeno[1,2-b]pyridin-8-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;5,5-dimethyl-2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)indeno[1,2-b]pyridine;5,5-dimethyl-7-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)indeno[1,2-b]pyridine;5,5-dimethyl-8-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)indeno[1,2-b]pyridine;3-[14-(1,5-naphthyridin-3-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-1,5-naphthyridine;3-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-1,5-naphthyridine
CID 160734101
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
CID 156656915
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
5,5-dimethyl-2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)indeno[1,2-b]pyridine
CID 59845146
3-(9,9-dimethylfluoren-2-yl)-1,6-diphenylpyrene
CID 123577752
1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene
CID 143594233
8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747246
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline
CID 146301055

Frequently Asked Questions

What is the IUPAC name of 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 59845241) is 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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)c2cc(-c3ccc4c5c3ccc3ccc6c(-c7ccc8c(c7)C(C)(C)c7cccnc7-8)ccc-4c6c35)ccc2-c2ncccc21.
What is the InChIKey of 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 RJHWFUQKTLOKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-45(2)36-7-5-21-47-43(36)34-15-11-26(23-38(34)45)28-17-19-32-33-20-18-29(31-14-10-25-9-13-30(28)41(32)40(25)42(31)33)27-12-16-35-39(24-27)46(3,4)37-8-6-22-48-44(35)37/h5-24H,1-4H3.
What are the key properties of 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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?
7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-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 59845241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).