2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene

C22H19I — CID 70971884

IUPAC2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)ccc1I
InChIInChI=1S/C22H19I/c1-14-12-15(9-11-21(14)23)16-8-10-18-17-6-4-5-7-19(17)22(2,3)20(18)13-16/h4-13H,1-3H3
InChIKeyHKBWPJAQBGYLPX-UHFFFAOYSA-N
MW410.30 g/mol
LogP6.57
Rot. Bonds1

About 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene

2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene (PubChem CID 70971884) has the molecular formula C22H19I and a molecular weight of 410.30 g/mol. Its IUPAC name is 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene
PubChem CID70971884
Molecular FormulaC22H19I
Molecular Weight410.30 g/mol
Exact Mass410.05
IUPAC Name2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)ccc1I
InChIInChI=1S/C22H19I/c1-14-12-15(9-11-21(14)23)16-8-10-18-17-6-4-5-7-19(17)22(2,3)20(18)13-16/h4-13H,1-3H3
InChIKeyHKBWPJAQBGYLPX-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 56.57
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-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9,9-dimethyl-2-(2,4,6-trimethylphenyl)fluorene
CID 176635457
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene (CID 70971884) is 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene is Cc1cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)ccc1I.
What is the InChIKey of 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene?
The InChIKey is HKBWPJAQBGYLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19I/c1-14-12-15(9-11-21(14)23)16-8-10-18-17-6-4-5-7-19(17)22(2,3)20(18)13-16/h4-13H,1-3H3.
What are the key properties of 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene?
2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene has a molecular weight of 410.30 g/mol, XLogP of 6.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 70971884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).