4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]

C33H29I — CID 144939042

IUPAC4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)Cc1cc(I)cc2c1-c1ccccc1C21CCCC1
InChIInChI=1S/C33H29I/c1-21-13-14-28-26(17-21)24-9-3-5-11-27(24)32(28,2)20-22-18-23(34)19-30-31(22)25-10-4-6-12-29(25)33(30)15-7-8-16-33/h3-6,9-14,17-19H,7-8,15-16,20H2,1-2H3
InChIKeyNEUXNEPAQUNXEE-UHFFFAOYSA-N
MW552.50 g/mol
LogP8.97
Rot. Bonds2

About 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]

4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene] (PubChem CID 144939042) has the molecular formula C33H29I and a molecular weight of 552.50 g/mol. Its IUPAC name is 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]
PubChem CID144939042
Molecular FormulaC33H29I
Molecular Weight552.50 g/mol
Exact Mass552.13
IUPAC Name4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)Cc1cc(I)cc2c1-c1ccccc1C21CCCC1
InChIInChI=1S/C33H29I/c1-21-13-14-28-26(17-21)24-9-3-5-11-27(24)32(28,2)20-22-18-23(34)19-30-31(22)25-10-4-6-12-29(25)33(30)15-7-8-16-33/h3-6,9-14,17-19H,7-8,15-16,20H2,1-2H3
InChIKeyNEUXNEPAQUNXEE-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.50
LogP ≤ 58.97
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

4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene
CID 123787852
3'-(4-methylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 58389877
3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene
CID 123569803
5-ethylspiro[benzo[c]fluorene-7,1'-cyclopentane]
CID 143561125
2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
CID 168798514
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene
CID 123751329
12',12'-dimethylspiro[cyclohexane-1,22'-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene]
CID 164817979
2',7'-dimethylspiro[cyclooctane-1,9'-fluorene];2',7'-dimethylspiro[2H-indene-3,9'-fluorene]-1-one;2'-methylspiro[2H-indene-3,9'-fluorene]-1-one
CID 159075202
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
spiro[benzo[c]fluorene-7,1'-cyclopentane]
CID 59806731
5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 90277873

Frequently Asked Questions

What is the IUPAC name of 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene] (CID 144939042) is 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene] is Cc1ccc2c(c1)-c1ccccc1C2(C)Cc1cc(I)cc2c1-c1ccccc1C21CCCC1.
What is the InChIKey of 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]?
The InChIKey is NEUXNEPAQUNXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29I/c1-21-13-14-28-26(17-21)24-9-3-5-11-27(24)32(28,2)20-22-18-23(34)19-30-31(22)25-10-4-6-12-29(25)33(30)15-7-8-16-33/h3-6,9-14,17-19H,7-8,15-16,20H2,1-2H3.
What are the key properties of 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]?
4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene] has a molecular weight of 552.50 g/mol, XLogP of 8.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 144939042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).