3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine

C28H18N4S — CID 134693551

IUPAC3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine
SMILESc1ccc(-c2cc3cccnc3nc2Sc2nc3ncccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H18N4S/c1-3-9-19(10-4-1)23-17-21-13-7-15-29-25(21)31-27(23)33-28-24(20-11-5-2-6-12-20)18-22-14-8-16-30-26(22)32-28/h1-18H
InChIKeyGWPINMLCBCSQHI-UHFFFAOYSA-N
MW442.55 g/mol
LogP7.06
Rot. Bonds4

About 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine

3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine (PubChem CID 134693551) has the molecular formula C28H18N4S and a molecular weight of 442.55 g/mol. Its IUPAC name is 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine.

Molecular Properties

Compound Name3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine
PubChem CID134693551
Molecular FormulaC28H18N4S
Molecular Weight442.55 g/mol
Exact Mass442.13
IUPAC Name3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine
SMILESc1ccc(-c2cc3cccnc3nc2Sc2nc3ncccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H18N4S/c1-3-9-19(10-4-1)23-17-21-13-7-15-29-25(21)31-27(23)33-28-24(20-11-5-2-6-12-20)18-22-14-8-16-30-26(22)32-28/h1-18H
InChIKeyGWPINMLCBCSQHI-UHFFFAOYSA-N
XLogP7.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24971389
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2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 56969052
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596219
4-(4-Methyl-1-piperidinyl)-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine
CID 2575882
7-(6-Dimethylamino-pyridin-3-yl)-5,6-diphenyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10002103
6-(2-Pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 155555328
N,N-dimethyl-1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 156015843
5-[1,8]Naphthyridin-4-yl-4-pyridin-2-yl-thiazol-2-ylamine
CID 11150889
2-Pyridin-4-yl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596632
4-(4-Ethylpiperazin-1-yl)-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596634
2-(Isoquinolin-1-ylsulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine?
The IUPAC name of 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine (CID 134693551) is 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine.
What is the SMILES notation for 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine?
The canonical SMILES for 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine is c1ccc(-c2cc3cccnc3nc2Sc2nc3ncccc3cc2-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine?
The InChIKey is GWPINMLCBCSQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4S/c1-3-9-19(10-4-1)23-17-21-13-7-15-29-25(21)31-27(23)33-28-24(20-11-5-2-6-12-20)18-22-14-8-16-30-26(22)32-28/h1-18H.
What are the key properties of 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine?
3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine has a molecular weight of 442.55 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(3-phenyl-1,8-naphthyridin-2-yl)sulfanyl]-1,8-naphthyridine is sourced from PubChem (CID 134693551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).