7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene

C25H23I — CID 70963066

IUPAC7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3ccc4c(c3)CCC(I)=C4)cc21
InChIInChI=1S/C25H23I/c1-25(2)23-6-4-3-5-21(23)22-12-10-19(15-24(22)25)16-7-8-18-14-20(26)11-9-17(18)13-16/h4,6-8,10,12-15H,3,5,9,11H2,1-2H3
InChIKeyDPXJLLXYCMHGRP-UHFFFAOYSA-N
MW450.36 g/mol
LogP7.47
Rot. Bonds1

About 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene

7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene (PubChem CID 70963066) has the molecular formula C25H23I and a molecular weight of 450.36 g/mol. Its IUPAC name is 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene.

Molecular Properties

Compound Name7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene
PubChem CID70963066
Molecular FormulaC25H23I
Molecular Weight450.36 g/mol
Exact Mass450.08
IUPAC Name7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3ccc4c(c3)CCC(I)=C4)cc21
InChIInChI=1S/C25H23I/c1-25(2)23-6-4-3-5-21(23)22-12-10-19(15-24(22)25)16-7-8-18-14-20(26)11-9-17(18)13-16/h4,6-8,10,12-15H,3,5,9,11H2,1-2H3
InChIKeyDPXJLLXYCMHGRP-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.36
LogP ≤ 57.47
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-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene
CID 89161599
7,9,9-trimethyl-3,4-dihydrofluorene
CID 143620437
6,9,9-trimethyl-3,4-dihydrofluorene
CID 144639578
2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene
CID 70999827
12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163588387
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline
CID 174306376
N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
CID 70885735
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
CID 89187193
CID 145229229
CID 145229229
2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline
CID 70806657
9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 170445127

Frequently Asked Questions

What is the IUPAC name of 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene?
The IUPAC name of 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene (CID 70963066) is 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene.
What is the SMILES notation for 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene?
The canonical SMILES for 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene is CC1(C)C2=C(CCC=C2)c2ccc(-c3ccc4c(c3)CCC(I)=C4)cc21.
What is the InChIKey of 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene?
The InChIKey is DPXJLLXYCMHGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23I/c1-25(2)23-6-4-3-5-21(23)22-12-10-19(15-24(22)25)16-7-8-18-14-20(26)11-9-17(18)13-16/h4,6-8,10,12-15H,3,5,9,11H2,1-2H3.
What are the key properties of 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene?
7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene has a molecular weight of 450.36 g/mol, XLogP of 7.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene is sourced from PubChem (CID 70963066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).