1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene

C21H15I — CID 70994486

IUPAC1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene
SMILESCc1ccc(-c2ccc3cc(I)ccc3c2)c2ccccc12
InChIInChI=1S/C21H15I/c1-14-6-11-20(21-5-3-2-4-19(14)21)17-8-7-16-13-18(22)10-9-15(16)12-17/h2-13H,1H3
InChIKeyILAVRPKDGFXRAB-UHFFFAOYSA-N
MW394.26 g/mol
LogP6.57
Rot. Bonds1

About 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene

1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene (PubChem CID 70994486) has the molecular formula C21H15I and a molecular weight of 394.26 g/mol. Its IUPAC name is 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene.

Molecular Properties

Compound Name1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene
PubChem CID70994486
Molecular FormulaC21H15I
Molecular Weight394.26 g/mol
Exact Mass394.02
IUPAC Name1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene
SMILESCc1ccc(-c2ccc3cc(I)ccc3c2)c2ccccc12
InChIInChI=1S/C21H15I/c1-14-6-11-20(21-5-3-2-4-19(14)21)17-8-7-16-13-18(22)10-9-15(16)12-17/h2-13H,1H3
InChIKeyILAVRPKDGFXRAB-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.26
LogP ≤ 56.57
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

1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
CID 123178820
1-iodo-4-naphthalen-2-ylnaphthalene
CID 70902488
2-methyl-4-(4-methylnaphthalen-1-yl)phenol
CID 53405300
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene
CID 159364327
11,11-dimethyl-2-(4-methylnaphthalen-1-yl)benzo[b]fluorene
CID 123864215
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 159276562
2-(4-methylnaphthalen-1-yl)-9-[7-[9-(4-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 59010407
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062

Frequently Asked Questions

What is the IUPAC name of 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene?
The IUPAC name of 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene (CID 70994486) is 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene.
What is the SMILES notation for 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene?
The canonical SMILES for 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene is Cc1ccc(-c2ccc3cc(I)ccc3c2)c2ccccc12.
What is the InChIKey of 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene?
The InChIKey is ILAVRPKDGFXRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15I/c1-14-6-11-20(21-5-3-2-4-19(14)21)17-8-7-16-13-18(22)10-9-15(16)12-17/h2-13H,1H3.
What are the key properties of 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene?
1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene has a molecular weight of 394.26 g/mol, XLogP of 6.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene is sourced from PubChem (CID 70994486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).