9-iodo-10-phenylanthracene

C20H13I — CID 14958373

IUPAC9-iodo-10-phenylanthracene
SMILESIc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H13I/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
InChIKeyQNZJXQPLZAOZLQ-UHFFFAOYSA-N
MW380.23 g/mol
LogP6.26
Rot. Bonds1

About 9-iodo-10-phenylanthracene

9-iodo-10-phenylanthracene (PubChem CID 14958373) has the molecular formula C20H13I and a molecular weight of 380.23 g/mol. Its IUPAC name is 9-iodo-10-phenylanthracene.

Molecular Properties

Compound Name9-iodo-10-phenylanthracene
PubChem CID14958373
Molecular FormulaC20H13I
Molecular Weight380.23 g/mol
Exact Mass380.01
IUPAC Name9-iodo-10-phenylanthracene
SMILESIc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H13I/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
InChIKeyQNZJXQPLZAOZLQ-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.23
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2,4-diiodo-1-phenylnaphthalene
CID 138966123
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
1-iodo-10-phenylanthracene
CID 141156342
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
CID 143321579
CID 143321579
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9H-carbazole;9,10-diphenylanthracene
CID 159841164
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543

Frequently Asked Questions

What is the IUPAC name of 9-iodo-10-phenylanthracene?
The IUPAC name of 9-iodo-10-phenylanthracene (CID 14958373) is 9-iodo-10-phenylanthracene.
What is the SMILES notation for 9-iodo-10-phenylanthracene?
The canonical SMILES for 9-iodo-10-phenylanthracene is Ic1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 9-iodo-10-phenylanthracene?
The InChIKey is QNZJXQPLZAOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13I/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H.
What are the key properties of 9-iodo-10-phenylanthracene?
9-iodo-10-phenylanthracene has a molecular weight of 380.23 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-10-phenylanthracene is sourced from PubChem (CID 14958373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).