1-iodo-4-naphthalen-2-ylnaphthalene

C20H13I — CID 70902488

IUPAC1-iodo-4-naphthalen-2-ylnaphthalene
SMILESIc1ccc(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C20H13I/c21-20-12-11-17(18-7-3-4-8-19(18)20)16-10-9-14-5-1-2-6-15(14)13-16/h1-13H
InChIKeyFDEDVJJOCJTBTI-UHFFFAOYSA-N
MW380.23 g/mol
LogP6.26
Rot. Bonds1

About 1-iodo-4-naphthalen-2-ylnaphthalene

1-iodo-4-naphthalen-2-ylnaphthalene (PubChem CID 70902488) has the molecular formula C20H13I and a molecular weight of 380.23 g/mol. Its IUPAC name is 1-iodo-4-naphthalen-2-ylnaphthalene.

Molecular Properties

Compound Name1-iodo-4-naphthalen-2-ylnaphthalene
PubChem CID70902488
Molecular FormulaC20H13I
Molecular Weight380.23 g/mol
Exact Mass380.01
IUPAC Name1-iodo-4-naphthalen-2-ylnaphthalene
SMILESIc1ccc(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C20H13I/c21-20-12-11-17(18-7-3-4-8-19(18)20)16-10-9-14-5-1-2-6-15(14)13-16/h1-13H
InChIKeyFDEDVJJOCJTBTI-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'}

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Related Compounds

2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan
CID 143851147
2-(4-iodo-3-phenylphenyl)naphthalene
CID 144938534
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
2-naphthalen-1-ylanthracene
CID 2748705

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-naphthalen-2-ylnaphthalene?
The IUPAC name of 1-iodo-4-naphthalen-2-ylnaphthalene (CID 70902488) is 1-iodo-4-naphthalen-2-ylnaphthalene.
What is the SMILES notation for 1-iodo-4-naphthalen-2-ylnaphthalene?
The canonical SMILES for 1-iodo-4-naphthalen-2-ylnaphthalene is Ic1ccc(-c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 1-iodo-4-naphthalen-2-ylnaphthalene?
The InChIKey is FDEDVJJOCJTBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13I/c21-20-12-11-17(18-7-3-4-8-19(18)20)16-10-9-14-5-1-2-6-15(14)13-16/h1-13H.
What are the key properties of 1-iodo-4-naphthalen-2-ylnaphthalene?
1-iodo-4-naphthalen-2-ylnaphthalene 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-4-naphthalen-2-ylnaphthalene is sourced from PubChem (CID 70902488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).