2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene

C25H19I — CID 126546647

IUPAC2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4ccc(I)cc34)cc21
InChIInChI=1S/C25H19I/c1-25(2)23-9-4-3-7-20(23)21-13-11-17(14-24(21)25)19-8-5-6-16-10-12-18(26)15-22(16)19/h3-15H,1-2H3
InChIKeyMXFACJUWLWMWEH-UHFFFAOYSA-N
MW446.33 g/mol
LogP7.42
Rot. Bonds1

About 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene

2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene (PubChem CID 126546647) has the molecular formula C25H19I and a molecular weight of 446.33 g/mol. Its IUPAC name is 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene
PubChem CID126546647
Molecular FormulaC25H19I
Molecular Weight446.33 g/mol
Exact Mass446.05
IUPAC Name2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4ccc(I)cc34)cc21
InChIInChI=1S/C25H19I/c1-25(2)23-9-4-3-7-20(23)21-13-11-17(14-24(21)25)19-8-5-6-16-10-12-18(26)15-22(16)19/h3-15H,1-2H3
InChIKeyMXFACJUWLWMWEH-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.33
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
CID 126546625
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
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
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene?
The IUPAC name of 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene (CID 126546647) is 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene?
The canonical SMILES for 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(-c3cccc4ccc(I)cc34)cc21.
What is the InChIKey of 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene?
The InChIKey is MXFACJUWLWMWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19I/c1-25(2)23-9-4-3-7-20(23)21-13-11-17(14-24(21)25)19-8-5-6-16-10-12-18(26)15-22(16)19/h3-15H,1-2H3.
What are the key properties of 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene?
2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene has a molecular weight of 446.33 g/mol, XLogP of 7.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene is sourced from PubChem (CID 126546647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).