5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine

C62H50N4 — CID 59747186

IUPAC5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3cc(-c4ccc5c(n4)-c4ccccc4C5(C)C)c(-c4ccc5c(n4)-c4ccccc4C5(C)C)cc3-c3ccc4c(n3)-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C62H50N4/c1-59(2)43-21-13-9-17-35(43)55-47(59)25-29-51(63-55)39-33-41(53-31-27-49-57(65-53)37-19-11-15-23-45(37)61(49,5)6)42(54-32-28-50-58(66-54)38-20-12-16-24-46(38)62(50,7)8)34-40(39)52-30-26-48-56(64-52)36-18-10-14-22-44(36)60(48,3)4/h9-34H,1-8H3
InChIKeyIQSZNZFTQLVYPU-UHFFFAOYSA-N
MW851.11 g/mol
LogP15.16
Rot. Bonds4

About 5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine

5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine (PubChem CID 59747186) has the molecular formula C62H50N4 and a molecular weight of 851.11 g/mol. Its IUPAC name is 5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
PubChem CID59747186
Molecular FormulaC62H50N4
Molecular Weight851.11 g/mol
Exact Mass850.40
IUPAC Name5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3cc(-c4ccc5c(n4)-c4ccccc4C5(C)C)c(-c4ccc5c(n4)-c4ccccc4C5(C)C)cc3-c3ccc4c(n3)-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C62H50N4/c1-59(2)43-21-13-9-17-35(43)55-47(59)25-29-51(63-55)39-33-41(53-31-27-49-57(65-53)37-19-11-15-23-45(37)61(49,5)6)42(54-32-28-50-58(66-54)38-20-12-16-24-46(38)62(50,7)8)34-40(39)52-30-26-48-56(64-52)36-18-10-14-22-44(36)60(48,3)4/h9-34H,1-8H3
InChIKeyIQSZNZFTQLVYPU-UHFFFAOYSA-N
XLogP15.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.11
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747213
2-(4,6-diphenyl-2-pyridinyl)-5,5-dimethylindeno[1,2-b]pyridine
CID 59747191
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
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
2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
CID 59747284
2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine
CID 59747125
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
CID 167269648
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319046
5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
CID 59747274
2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine
CID 59330469
2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
CID 59747285

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine?
The IUPAC name of 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) is 5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine.
What is the SMILES notation for 5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine?
The canonical SMILES for 5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2nc(-c3cc(-c4ccc5c(n4)-c4ccccc4C5(C)C)c(-c4ccc5c(n4)-c4ccccc4C5(C)C)cc3-c3ccc4c(n3)-c3ccccc3C4(C)C)ccc21.
What is the InChIKey of 5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine?
The InChIKey is IQSZNZFTQLVYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N4/c1-59(2)43-21-13-9-17-35(43)55-47(59)25-29-51(63-55)39-33-41(53-31-27-49-57(65-53)37-19-11-15-23-45(37)61(49,5)6)42(54-32-28-50-58(66-54)38-20-12-16-24-46(38)62(50,7)8)34-40(39)52-30-26-48-56(64-52)36-18-10-14-22-44(36)60(48,3)4/h9-34H,1-8H3.
What are the key properties of 5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine?
5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine has a molecular weight of 851.11 g/mol, XLogP of 15.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine is sourced from PubChem (CID 59747186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).