2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine

C42H32N2 — CID 59747213

IUPAC2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc4c(ccc5cc(-c6ccc7c(n6)-c6ccccc6C7(C)C)ccc54)c3)ccc21
InChIInChI=1S/C42H32N2/c1-41(2)33-11-7-5-9-31(33)39-35(41)19-21-37(43-39)27-15-17-29-25(23-27)13-14-26-24-28(16-18-30(26)29)38-22-20-36-40(44-38)32-10-6-8-12-34(32)42(36,3)4/h5-24H,1-4H3
InChIKeyKPJRSRLDHXBXAU-UHFFFAOYSA-N
MW564.73 g/mol
LogP10.73
Rot. Bonds2

About 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine

2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59747213) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59747213
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc4c(ccc5cc(-c6ccc7c(n6)-c6ccccc6C7(C)C)ccc54)c3)ccc21
InChIInChI=1S/C42H32N2/c1-41(2)33-11-7-5-9-31(33)39-35(41)19-21-37(43-39)27-15-17-29-25(23-27)13-14-26-24-28(16-18-30(26)29)38-22-20-36-40(44-38)32-10-6-8-12-34(32)42(36,3)4/h5-24H,1-4H3
InChIKeyKPJRSRLDHXBXAU-UHFFFAOYSA-N
XLogP10.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
CID 59747284
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-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
CID 59747274
2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
CID 59747285
2-(4,6-diphenyl-2-pyridinyl)-5,5-dimethylindeno[1,2-b]pyridine
CID 59747191
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
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
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
6-(9,9-dimethylfluoren-2-yl)-2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-phenylpyridine
CID 58881124
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146

Frequently Asked Questions

What is the IUPAC name of 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine (CID 59747213) is 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2nc(-c3ccc4c(ccc5cc(-c6ccc7c(n6)-c6ccccc6C7(C)C)ccc54)c3)ccc21.
What is the InChIKey of 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is KPJRSRLDHXBXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-41(2)33-11-7-5-9-31(33)39-35(41)19-21-37(43-39)27-15-17-29-25(23-27)13-14-26-24-28(16-18-30(26)29)38-22-20-36-40(44-38)32-10-6-8-12-34(32)42(36,3)4/h5-24H,1-4H3.
What are the key properties of 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 564.73 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).