2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene

C25H21I — CID 70999827

IUPAC2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene
SMILESCC1(C)c2cc(I)ccc2-c2ccc(-c3ccc4c(c3)C=CCC4)cc21
InChIInChI=1S/C25H21I/c1-25(2)23-14-19(18-8-7-16-5-3-4-6-17(16)13-18)9-11-21(23)22-12-10-20(26)15-24(22)25/h4,6-15H,3,5H2,1-2H3
InChIKeyFKWAWGOSHQTVRP-UHFFFAOYSA-N
MW448.35 g/mol
LogP7.22
Rot. Bonds1

About 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene

2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene (PubChem CID 70999827) has the molecular formula C25H21I and a molecular weight of 448.35 g/mol. Its IUPAC name is 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene
PubChem CID70999827
Molecular FormulaC25H21I
Molecular Weight448.35 g/mol
Exact Mass448.07
IUPAC Name2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene
SMILESCC1(C)c2cc(I)ccc2-c2ccc(-c3ccc4c(c3)C=CCC4)cc21
InChIInChI=1S/C25H21I/c1-25(2)23-14-19(18-8-7-16-5-3-4-6-17(16)13-18)9-11-21(23)22-12-10-20(26)15-24(22)25/h4,6-15H,3,5H2,1-2H3
InChIKeyFKWAWGOSHQTVRP-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 57.22
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-cyclohexa-1,5-dien-1-yl-7-iodo-9,9-dimethylfluorene
CID 70987003
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
7-iodo-1,2-dihydronaphthalene
CID 70927780
9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene
CID 70963066
N-(3-dibenzofuran-2-ylphenyl)-N-(5,6-dihydronaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 118487128
6-(3-bromophenyl)-1,2-dihydronaphthalene
CID 143742430
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
2-[3-ethyl-2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]-7-iodo-9,9-dimethylfluorene
CID 70994305
2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 167235326
4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134603840
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene?
The IUPAC name of 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene (CID 70999827) is 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene.
What is the SMILES notation for 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene?
The canonical SMILES for 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene is CC1(C)c2cc(I)ccc2-c2ccc(-c3ccc4c(c3)C=CCC4)cc21.
What is the InChIKey of 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene?
The InChIKey is FKWAWGOSHQTVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21I/c1-25(2)23-14-19(18-8-7-16-5-3-4-6-17(16)13-18)9-11-21(23)22-12-10-20(26)15-24(22)25/h4,6-15H,3,5H2,1-2H3.
What are the key properties of 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene?
2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene has a molecular weight of 448.35 g/mol, XLogP of 7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene is sourced from PubChem (CID 70999827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).