3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine

C30H18I2N2S — CID 155469367

IUPAC3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine
SMILESIc1cncc(-c2ccc3cc(Sc4ccc5cc(-c6cncc(I)c6)ccc5c4)ccc3c2)c1
InChIInChI=1S/C30H18I2N2S/c31-27-11-25(15-33-17-27)21-1-3-23-13-29(7-5-19(23)9-21)35-30-8-6-20-10-22(2-4-24(20)14-30)26-12-28(32)18-34-16-26/h1-18H
InChIKeyDMFQTZXLCPFLRC-UHFFFAOYSA-N
MW692.36 g/mol
LogP9.48
Rot. Bonds4

About 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine

3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine (PubChem CID 155469367) has the molecular formula C30H18I2N2S and a molecular weight of 692.36 g/mol. Its IUPAC name is 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine
PubChem CID155469367
Molecular FormulaC30H18I2N2S
Molecular Weight692.36 g/mol
Exact Mass691.93
IUPAC Name3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine
SMILESIc1cncc(-c2ccc3cc(Sc4ccc5cc(-c6cncc(I)c6)ccc5c4)ccc3c2)c1
InChIInChI=1S/C30H18I2N2S/c31-27-11-25(15-33-17-27)21-1-3-23-13-29(7-5-19(23)9-21)35-30-8-6-20-10-22(2-4-24(20)14-30)26-12-28(32)18-34-16-26/h1-18H
InChIKeyDMFQTZXLCPFLRC-UHFFFAOYSA-N
XLogP9.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.36
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(6-iodonaphthalen-2-yl)pyridine
CID 155054482
[4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
CID 170289466
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
[4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
CID 170291557
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]sulfanylphenyl]-2,6-dinaphthalen-2-ylpyrimidine
CID 140904971
3-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 134637718
7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline
CID 170295713
2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine
CID 88554596
2-(3,5-dibromophenyl)-6-iodonaphthalene
CID 121450064
6-naphthalen-2-ylisoquinoline
CID 59724414
(5-iodo-3-pyridinyl)oxyphosphane
CID 155258572
3-(6-chloronaphthalen-2-yl)pyridine
CID 173397093

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine?
The IUPAC name of 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine (CID 155469367) is 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine.
What is the SMILES notation for 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine?
The canonical SMILES for 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine is Ic1cncc(-c2ccc3cc(Sc4ccc5cc(-c6cncc(I)c6)ccc5c4)ccc3c2)c1.
What is the InChIKey of 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine?
The InChIKey is DMFQTZXLCPFLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18I2N2S/c31-27-11-25(15-33-17-27)21-1-3-23-13-29(7-5-19(23)9-21)35-30-8-6-20-10-22(2-4-24(20)14-30)26-12-28(32)18-34-16-26/h1-18H.
What are the key properties of 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine?
3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine has a molecular weight of 692.36 g/mol, XLogP of 9.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine is sourced from PubChem (CID 155469367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).