1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene

C27H17I4NO — CID 161428057

IUPAC1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene
SMILESCC(=O)n1c2ccc(I)cc2c2cc(I)ccc21.Ic1ccc2c(c1)-c1cc(I)ccc1C2
InChIInChI=1S/C14H9I2NO.C13H8I2/c1-8(18)17-13-4-2-9(15)6-11(13)12-7-10(16)3-5-14(12)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10/h2-7H,1H3;1-4,6-7H,5H2
InChIKeyVXQDQIWRLZTAPE-UHFFFAOYSA-N
MW879.05 g/mol
LogP9.13
Rot. Bonds

About 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene

1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene (PubChem CID 161428057) has the molecular formula C27H17I4NO and a molecular weight of 879.05 g/mol. Its IUPAC name is 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene.

Molecular Properties

Compound Name1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene
PubChem CID161428057
Molecular FormulaC27H17I4NO
Molecular Weight879.05 g/mol
Exact Mass878.75
IUPAC Name1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene
SMILESCC(=O)n1c2ccc(I)cc2c2cc(I)ccc21.Ic1ccc2c(c1)-c1cc(I)ccc1C2
InChIInChI=1S/C14H9I2NO.C13H8I2/c1-8(18)17-13-4-2-9(15)6-11(13)12-7-10(16)3-5-14(12)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10/h2-7H,1H3;1-4,6-7H,5H2
InChIKeyVXQDQIWRLZTAPE-UHFFFAOYSA-N
XLogP9.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.05
LogP ≤ 59.13
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 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene?
The IUPAC name of 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene (CID 161428057) is 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene.
What is the SMILES notation for 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene?
The canonical SMILES for 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene is CC(=O)n1c2ccc(I)cc2c2cc(I)ccc21.Ic1ccc2c(c1)-c1cc(I)ccc1C2.
What is the InChIKey of 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene?
The InChIKey is VXQDQIWRLZTAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9I2NO.C13H8I2/c1-8(18)17-13-4-2-9(15)6-11(13)12-7-10(16)3-5-14(12)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10/h2-7H,1H3;1-4,6-7H,5H2.
What are the key properties of 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene?
1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene has a molecular weight of 879.05 g/mol, XLogP of 9.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene is sourced from PubChem (CID 161428057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).