1-iodo-10-phenylanthracene

C20H13I — CID 141156342

IUPAC1-iodo-10-phenylanthracene
SMILESIc1cccc2c(-c3ccccc3)c3ccccc3cc12
InChIInChI=1S/C20H13I/c21-19-12-6-11-17-18(19)13-15-9-4-5-10-16(15)20(17)14-7-2-1-3-8-14/h1-13H
InChIKeyKNMYGHGJMDVKKD-UHFFFAOYSA-N
MW380.23 g/mol
LogP6.26
Rot. Bonds1

About 1-iodo-10-phenylanthracene

1-iodo-10-phenylanthracene (PubChem CID 141156342) has the molecular formula C20H13I and a molecular weight of 380.23 g/mol. Its IUPAC name is 1-iodo-10-phenylanthracene.

Molecular Properties

Compound Name1-iodo-10-phenylanthracene
PubChem CID141156342
Molecular FormulaC20H13I
Molecular Weight380.23 g/mol
Exact Mass380.01
IUPAC Name1-iodo-10-phenylanthracene
SMILESIc1cccc2c(-c3ccccc3)c3ccccc3cc12
InChIInChI=1S/C20H13I/c21-19-12-6-11-17-18(19)13-15-9-4-5-10-16(15)20(17)14-7-2-1-3-8-14/h1-13H
InChIKeyKNMYGHGJMDVKKD-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

9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene
CID 59412706
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
CID 159641805
N,10-diphenylanthracen-1-amine
CID 135183397
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-iodo-10-phenylanthracene
CID 14958373
1-chloro-3-iodo-2-phenylnaphthalene
CID 141394667
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
CID 123622975
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708

Frequently Asked Questions

What is the IUPAC name of 1-iodo-10-phenylanthracene?
The IUPAC name of 1-iodo-10-phenylanthracene (CID 141156342) is 1-iodo-10-phenylanthracene.
What is the SMILES notation for 1-iodo-10-phenylanthracene?
The canonical SMILES for 1-iodo-10-phenylanthracene is Ic1cccc2c(-c3ccccc3)c3ccccc3cc12.
What is the InChIKey of 1-iodo-10-phenylanthracene?
The InChIKey is KNMYGHGJMDVKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13I/c21-19-12-6-11-17-18(19)13-15-9-4-5-10-16(15)20(17)14-7-2-1-3-8-14/h1-13H.
What are the key properties of 1-iodo-10-phenylanthracene?
1-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 1-iodo-10-phenylanthracene is sourced from PubChem (CID 141156342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).