9H-fluorene;3-iodo-9H-fluorene

C26H19I — CID 169429949

IUPAC9H-fluorene;3-iodo-9H-fluorene
SMILESIc1ccc2c(c1)-c1ccccc1C2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H9I.C13H10/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-6,8H,7H2;1-8H,9H2
InChIKeySQECHHUCCZSXGO-UHFFFAOYSA-N
MW458.34 g/mol
LogP7.12
Rot. Bonds

About 9H-fluorene;3-iodo-9H-fluorene

9H-fluorene;3-iodo-9H-fluorene (PubChem CID 169429949) has the molecular formula C26H19I and a molecular weight of 458.34 g/mol. Its IUPAC name is 9H-fluorene;3-iodo-9H-fluorene.

Molecular Properties

Compound Name9H-fluorene;3-iodo-9H-fluorene
PubChem CID169429949
Molecular FormulaC26H19I
Molecular Weight458.34 g/mol
Exact Mass458.05
IUPAC Name9H-fluorene;3-iodo-9H-fluorene
SMILESIc1ccc2c(c1)-c1ccccc1C2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H9I.C13H10/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-6,8H,7H2;1-8H,9H2
InChIKeySQECHHUCCZSXGO-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
9H-fluorene;oxophosphane
CID 174601741
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane
CID 159720979
9H-fluorene;sulfane;hydrate
CID 159057499
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene
CID 132604363
CID 146970917
CID 146970917

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;3-iodo-9H-fluorene?
The IUPAC name of 9H-fluorene;3-iodo-9H-fluorene (CID 169429949) is 9H-fluorene;3-iodo-9H-fluorene.
What is the SMILES notation for 9H-fluorene;3-iodo-9H-fluorene?
The canonical SMILES for 9H-fluorene;3-iodo-9H-fluorene is Ic1ccc2c(c1)-c1ccccc1C2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;3-iodo-9H-fluorene?
The InChIKey is SQECHHUCCZSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9I.C13H10/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-6,8H,7H2;1-8H,9H2.
What are the key properties of 9H-fluorene;3-iodo-9H-fluorene?
9H-fluorene;3-iodo-9H-fluorene has a molecular weight of 458.34 g/mol, XLogP of 7.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;3-iodo-9H-fluorene is sourced from PubChem (CID 169429949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).