2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine

C37H29N3 — CID 59747284

IUPAC2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc4c(n3)-c3cc(-c5ccc6ccccc6n5)ccc3C4(C)C)ccc21
InChIInChI=1S/C37H29N3/c1-36(2)26-11-7-6-10-24(26)34-28(36)16-19-32(39-34)33-20-17-29-35(40-33)25-21-23(13-15-27(25)37(29,3)4)31-18-14-22-9-5-8-12-30(22)38-31/h5-21H,1-4H3
InChIKeyUTNIOZVRJWOAHA-UHFFFAOYSA-N
MW515.66 g/mol
LogP8.97
Rot. Bonds2

About 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine

2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine (PubChem CID 59747284) has the molecular formula C37H29N3 and a molecular weight of 515.66 g/mol. Its IUPAC name is 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
PubChem CID59747284
Molecular FormulaC37H29N3
Molecular Weight515.66 g/mol
Exact Mass515.24
IUPAC Name2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc4c(n3)-c3cc(-c5ccc6ccccc6n5)ccc3C4(C)C)ccc21
InChIInChI=1S/C37H29N3/c1-36(2)26-11-7-6-10-24(26)34-28(36)16-19-32(39-34)33-20-17-29-35(40-33)25-21-23(13-15-27(25)37(29,3)4)31-18-14-22-9-5-8-12-30(22)38-31/h5-21H,1-4H3
InChIKeyUTNIOZVRJWOAHA-UHFFFAOYSA-N
XLogP8.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine with MolForge

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Related Compounds

5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
CID 59747274
2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747213
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
CID 59747186
5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine
CID 59747209
2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine
CID 155623955
2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
CID 59747285
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731
2-(4,6-diphenyl-2-pyridinyl)-5,5-dimethylindeno[1,2-b]pyridine
CID 59747191
8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747283
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59747241
13,13-dimethyl-5,10-di(quinolin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70885595

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine?
The IUPAC name of 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine (CID 59747284) is 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine.
What is the SMILES notation for 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine?
The canonical SMILES for 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2nc(-c3ccc4c(n3)-c3cc(-c5ccc6ccccc6n5)ccc3C4(C)C)ccc21.
What is the InChIKey of 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine?
The InChIKey is UTNIOZVRJWOAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3/c1-36(2)26-11-7-6-10-24(26)34-28(36)16-19-32(39-34)33-20-17-29-35(40-33)25-21-23(13-15-27(25)37(29,3)4)31-18-14-22-9-5-8-12-30(22)38-31/h5-21H,1-4H3.
What are the key properties of 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine?
2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine has a molecular weight of 515.66 g/mol, XLogP of 8.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).