4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile

C24H20INO — CID 151999045

IUPAC4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile
SMILESCCc1ccc(-c2cc(C)c(C#N)c(I)c2OC)c2c1-c1ccccc1C2
InChIInChI=1S/C24H20INO/c1-4-15-9-10-18(19-12-16-7-5-6-8-17(16)22(15)19)20-11-14(2)21(13-26)23(25)24(20)27-3/h5-11H,4,12H2,1-3H3
InChIKeyUGHCHXVTDGCWRL-UHFFFAOYSA-N
MW465.33 g/mol
LogP6.28
Rot. Bonds3

About 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile

4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile (PubChem CID 151999045) has the molecular formula C24H20INO and a molecular weight of 465.33 g/mol. Its IUPAC name is 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile
PubChem CID151999045
Molecular FormulaC24H20INO
Molecular Weight465.33 g/mol
Exact Mass465.06
IUPAC Name4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile
SMILESCCc1ccc(-c2cc(C)c(C#N)c(I)c2OC)c2c1-c1ccccc1C2
InChIInChI=1S/C24H20INO/c1-4-15-9-10-18(19-12-16-7-5-6-8-17(16)22(15)19)20-11-14(2)21(13-26)23(25)24(20)27-3/h5-11H,4,12H2,1-3H3
InChIKeyUGHCHXVTDGCWRL-UHFFFAOYSA-N
XLogP6.28
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.33
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile?
The IUPAC name of 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile (CID 151999045) is 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile.
What is the SMILES notation for 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile?
The canonical SMILES for 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile is CCc1ccc(-c2cc(C)c(C#N)c(I)c2OC)c2c1-c1ccccc1C2.
What is the InChIKey of 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile?
The InChIKey is UGHCHXVTDGCWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20INO/c1-4-15-9-10-18(19-12-16-7-5-6-8-17(16)22(15)19)20-11-14(2)21(13-26)23(25)24(20)27-3/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile?
4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile has a molecular weight of 465.33 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile is sourced from PubChem (CID 151999045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).