2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene

C26H31I — CID 89170512

IUPAC2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene
SMILESCC1/C=C\C(I)CCCC[C@H](c2ccc3c(c2)C(C)(C)c2ccccc2-3)C1
InChIInChI=1S/C26H31I/c1-18-12-14-21(27)9-5-4-8-19(16-18)20-13-15-23-22-10-6-7-11-24(22)26(2,3)25(23)17-20/h6-7,10-15,17-19,21H,4-5,8-9,16H2,1-3H3/b14-12-/t18?,19-,21?/m0/s1
InChIKeyYDUNIWQZWHJLTR-KWFWFZNXSA-N
MW470.44 g/mol
LogP8.04
Rot. Bonds1

About 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene

2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene (PubChem CID 89170512) has the molecular formula C26H31I and a molecular weight of 470.44 g/mol. Its IUPAC name is 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene
PubChem CID89170512
Molecular FormulaC26H31I
Molecular Weight470.44 g/mol
Exact Mass470.15
IUPAC Name2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene
SMILESCC1/C=C\C(I)CCCC[C@H](c2ccc3c(c2)C(C)(C)c2ccccc2-3)C1
InChIInChI=1S/C26H31I/c1-18-12-14-21(27)9-5-4-8-19(16-18)20-13-15-23-22-10-6-7-11-24(22)26(2,3)25(23)17-20/h6-7,10-15,17-19,21H,4-5,8-9,16H2,1-3H3/b14-12-/t18?,19-,21?/m0/s1
InChIKeyYDUNIWQZWHJLTR-KWFWFZNXSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.44
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-2-(4-methylcyclohexyl)fluorene
CID 157150008
3-(9,9-dimethylfluoren-2-yl)azetidine
CID 154791424
6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene
CID 58569891
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
N-[2-(4-cyclopentylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124729
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467353
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene?
The IUPAC name of 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene (CID 89170512) is 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene is CC1/C=C\C(I)CCCC[C@H](c2ccc3c(c2)C(C)(C)c2ccccc2-3)C1.
What is the InChIKey of 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene?
The InChIKey is YDUNIWQZWHJLTR-KWFWFZNXSA-N. The full InChI is InChI=1S/C26H31I/c1-18-12-14-21(27)9-5-4-8-19(16-18)20-13-15-23-22-10-6-7-11-24(22)26(2,3)25(23)17-20/h6-7,10-15,17-19,21H,4-5,8-9,16H2,1-3H3/b14-12-/t18?,19-,21?/m0/s1.
What are the key properties of 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene?
2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene has a molecular weight of 470.44 g/mol, XLogP of 8.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 89170512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).