2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene

C24H27I — CID 135164402

IUPAC2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene
SMILESC=CCCCC1(CCCC=C)c2cc(C)ccc2-c2ccc(I)cc21
InChIInChI=1S/C24H27I/c1-4-6-8-14-24(15-9-7-5-2)22-16-18(3)10-12-20(22)21-13-11-19(25)17-23(21)24/h4-5,10-13,16-17H,1-2,6-9,14-15H2,3H3
InChIKeyTYLWPOLFNWVTCL-UHFFFAOYSA-N
MW442.38 g/mol
LogP7.58
Rot. Bonds8

About 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene

2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene (PubChem CID 135164402) has the molecular formula C24H27I and a molecular weight of 442.38 g/mol. Its IUPAC name is 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene.

Molecular Properties

Compound Name2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene
PubChem CID135164402
Molecular FormulaC24H27I
Molecular Weight442.38 g/mol
Exact Mass442.12
IUPAC Name2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene
SMILESC=CCCCC1(CCCC=C)c2cc(C)ccc2-c2ccc(I)cc21
InChIInChI=1S/C24H27I/c1-4-6-8-14-24(15-9-7-5-2)22-16-18(3)10-12-20(22)21-13-11-19(25)17-23(21)24/h4-5,10-13,16-17H,1-2,6-9,14-15H2,3H3
InChIKeyTYLWPOLFNWVTCL-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.38
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol
CID 134368482
9,9-bis(hexa-1,3,5-triynyl)-2-methyl-7-[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]fluorene;molecular hydrogen
CID 158079818
5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
CID 118000276
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene
CID 134370848
2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene
CID 58151394
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide
CID 158580747
CID 173488082
CID 173488082
9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
CID 140895786
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469

Frequently Asked Questions

What is the IUPAC name of 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene?
The IUPAC name of 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene (CID 135164402) is 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene.
What is the SMILES notation for 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene?
The canonical SMILES for 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene is C=CCCCC1(CCCC=C)c2cc(C)ccc2-c2ccc(I)cc21.
What is the InChIKey of 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene?
The InChIKey is TYLWPOLFNWVTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27I/c1-4-6-8-14-24(15-9-7-5-2)22-16-18(3)10-12-20(22)21-13-11-19(25)17-23(21)24/h4-5,10-13,16-17H,1-2,6-9,14-15H2,3H3.
What are the key properties of 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene?
2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene has a molecular weight of 442.38 g/mol, XLogP of 7.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene is sourced from PubChem (CID 135164402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).