1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane

C29H27I2NO — CID 159720979

IUPAC1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane
SMILESC.C.CC(=O)n1c2ccccc2c2cc(I)ccc21.Ic1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C14H10INO.C13H9I.2CH4/c1-9(17)16-13-5-3-2-4-11(13)12-8-10(15)6-7-14(12)16;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;;/h2-8H,1H3;1-6,8H,7H2;2*1H4
InChIKeyNAAMOJQVLRZTSV-UHFFFAOYSA-N
MW659.35 g/mol
LogP9.19
Rot. Bonds

About 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane

1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane (PubChem CID 159720979) has the molecular formula C29H27I2NO and a molecular weight of 659.35 g/mol. Its IUPAC name is 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane.

Molecular Properties

Compound Name1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane
PubChem CID159720979
Molecular FormulaC29H27I2NO
Molecular Weight659.35 g/mol
Exact Mass659.02
IUPAC Name1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane
SMILESC.C.CC(=O)n1c2ccccc2c2cc(I)ccc21.Ic1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C14H10INO.C13H9I.2CH4/c1-9(17)16-13-5-3-2-4-11(13)12-8-10(15)6-7-14(12)16;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;;/h2-8H,1H3;1-6,8H,7H2;2*1H4
InChIKeyNAAMOJQVLRZTSV-UHFFFAOYSA-N
XLogP9.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.35
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene
CID 161428057
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone
CID 160891883
9H-fluorene;3-iodo-9H-fluorene
CID 169429949
1-carbazol-9-ylethanone;ethane
CID 142183368
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene
CID 161254046
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
CID 160822287
CID 160822287
N-(9-acetylcarbazol-3-yl)acetamide
CID 3326945
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene
CID 118655949

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane?
The IUPAC name of 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane (CID 159720979) is 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane.
What is the SMILES notation for 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane?
The canonical SMILES for 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane is C.C.CC(=O)n1c2ccccc2c2cc(I)ccc21.Ic1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane?
The InChIKey is NAAMOJQVLRZTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO.C13H9I.2CH4/c1-9(17)16-13-5-3-2-4-11(13)12-8-10(15)6-7-14(12)16;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;;/h2-8H,1H3;1-6,8H,7H2;2*1H4.
What are the key properties of 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane?
1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane has a molecular weight of 659.35 g/mol, XLogP of 9.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane is sourced from PubChem (CID 159720979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).