9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene

C43H34 — CID 91155116

IUPAC9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene
SMILESCC1(C)c2ccccc2-c2ccccc21.Cc1ccc2cc(-c3ccc4ccc5cc(C)cc6ccc3c4c56)ccc2c1
InChIInChI=1S/C28H20.C15H14/c1-17-3-4-21-16-22(7-6-20(21)13-17)25-11-9-19-5-8-23-14-18(2)15-24-10-12-26(25)28(19)27(23)24;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-16H,1-2H3;3-10H,1-2H3
InChIKeyDHYSTGAABRZVFK-UHFFFAOYSA-N
MW550.75 g/mol
LogP12.01
Rot. Bonds1

About 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene

9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene (PubChem CID 91155116) has the molecular formula C43H34 and a molecular weight of 550.75 g/mol. Its IUPAC name is 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene.

Molecular Properties

Compound Name9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene
PubChem CID91155116
Molecular FormulaC43H34
Molecular Weight550.75 g/mol
Exact Mass550.27
IUPAC Name9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene
SMILESCC1(C)c2ccccc2-c2ccccc21.Cc1ccc2cc(-c3ccc4ccc5cc(C)cc6ccc3c4c56)ccc2c1
InChIInChI=1S/C28H20.C15H14/c1-17-3-4-21-16-22(7-6-20(21)13-17)25-11-9-19-5-8-23-14-18(2)15-24-10-12-26(25)28(19)27(23)24;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-16H,1-2H3;3-10H,1-2H3
InChIKeyDHYSTGAABRZVFK-UHFFFAOYSA-N
XLogP12.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)
CID 159712751
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
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-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene
CID 158674016
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
4-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 58402146
3-(9,9-dimethylfluoren-2-yl)-1,6-diphenylpyrene
CID 123577752
1,6-bis(9,9-dimethylfluoren-2-yl)-3-phenanthren-2-ylpyrene
CID 123865198
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene?
The IUPAC name of 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene (CID 91155116) is 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene.
What is the SMILES notation for 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene?
The canonical SMILES for 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene is CC1(C)c2ccccc2-c2ccccc21.Cc1ccc2cc(-c3ccc4ccc5cc(C)cc6ccc3c4c56)ccc2c1.
What is the InChIKey of 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene?
The InChIKey is DHYSTGAABRZVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20.C15H14/c1-17-3-4-21-16-22(7-6-20(21)13-17)25-11-9-19-5-8-23-14-18(2)15-24-10-12-26(25)28(19)27(23)24;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-16H,1-2H3;3-10H,1-2H3.
What are the key properties of 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene?
9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene has a molecular weight of 550.75 g/mol, XLogP of 12.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene is sourced from PubChem (CID 91155116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).