9-iodo-9,10-dihydroanthracene

C14H11I — CID 70258846

IUPAC9-iodo-9,10-dihydroanthracene
SMILESIC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C14H11I/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKeyVLEVLFYZJJXJPM-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.12
Rot. Bonds

About 9-iodo-9,10-dihydroanthracene

9-iodo-9,10-dihydroanthracene (PubChem CID 70258846) has the molecular formula C14H11I and a molecular weight of 306.15 g/mol. Its IUPAC name is 9-iodo-9,10-dihydroanthracene.

Molecular Properties

Compound Name9-iodo-9,10-dihydroanthracene
PubChem CID70258846
Molecular FormulaC14H11I
Molecular Weight306.15 g/mol
Exact Mass305.99
IUPAC Name9-iodo-9,10-dihydroanthracene
SMILESIC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C14H11I/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKeyVLEVLFYZJJXJPM-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
CID 10033475
4-iodo-3,4-dihydro-1H-naphthalen-2-one
CID 138626469
(2S,4R)-3,3-difluorotetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 59040472
9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene
CID 14140318
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
9,10-dihydroanthracene-9-carbonyl chloride
CID 14248600
1,2-diiodo-2,3-dihydro-1H-indene
CID 18913557
12-iodo-1,2,3,4,7,12-hexahydronaphtho[2,3-c][2]benzothiepine
CID 138481869
9H-fluorene;9H-fluoren-9-ol
CID 68734201
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029

Frequently Asked Questions

What is the IUPAC name of 9-iodo-9,10-dihydroanthracene?
The IUPAC name of 9-iodo-9,10-dihydroanthracene (CID 70258846) is 9-iodo-9,10-dihydroanthracene.
What is the SMILES notation for 9-iodo-9,10-dihydroanthracene?
The canonical SMILES for 9-iodo-9,10-dihydroanthracene is IC1c2ccccc2Cc2ccccc21.
What is the InChIKey of 9-iodo-9,10-dihydroanthracene?
The InChIKey is VLEVLFYZJJXJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11I/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14H,9H2.
What are the key properties of 9-iodo-9,10-dihydroanthracene?
9-iodo-9,10-dihydroanthracene has a molecular weight of 306.15 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-9,10-dihydroanthracene is sourced from PubChem (CID 70258846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).