10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole

C26H16N2S — CID 169078102

IUPAC10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole
SMILESc1ccc(-c2ccc3ccc4ccc5snc(-c6ccccn6)c5c4c3c2)cc1
InChIInChI=1S/C26H16N2S/c1-2-6-17(7-3-1)20-12-10-18-9-11-19-13-14-23-25(24(19)21(18)16-20)26(28-29-23)22-8-4-5-15-27-22/h1-16H
InChIKeyPALJMKPTLDXBSR-UHFFFAOYSA-N
MW388.50 g/mol
LogP7.33
Rot. Bonds2

About 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole

10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole (PubChem CID 169078102) has the molecular formula C26H16N2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole.

Molecular Properties

Compound Name10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole
PubChem CID169078102
Molecular FormulaC26H16N2S
Molecular Weight388.50 g/mol
Exact Mass388.10
IUPAC Name10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole
SMILESc1ccc(-c2ccc3ccc4ccc5snc(-c6ccccn6)c5c4c3c2)cc1
InChIInChI=1S/C26H16N2S/c1-2-6-17(7-3-1)20-12-10-18-9-11-19-13-14-23-25(24(19)21(18)16-20)26(28-29-23)22-8-4-5-15-27-22/h1-16H
InChIKeyPALJMKPTLDXBSR-UHFFFAOYSA-N
XLogP7.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole
CID 169078108
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192
4-[3-(4-pyren-1-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685234
9-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
CID 155364563
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-phenyl-4-(4-phenylphenyl)-6-[8-(6-pyridin-2-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380771
5,13-diphenyl-11-thia-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
CID 166815616
2,7-diphenylbenzo[e]pyrene;1,3,6,8-tetraphenylpyrene;2-(3,6,8-tripyridin-2-ylpyren-1-yl)pyridine
CID 158692586
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302163

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole?
The IUPAC name of 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole (CID 169078102) is 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole.
What is the SMILES notation for 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole?
The canonical SMILES for 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole is c1ccc(-c2ccc3ccc4ccc5snc(-c6ccccn6)c5c4c3c2)cc1.
What is the InChIKey of 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole?
The InChIKey is PALJMKPTLDXBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2S/c1-2-6-17(7-3-1)20-12-10-18-9-11-19-13-14-23-25(24(19)21(18)16-20)26(28-29-23)22-8-4-5-15-27-22/h1-16H.
What are the key properties of 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole?
10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole has a molecular weight of 388.50 g/mol, XLogP of 7.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole is sourced from PubChem (CID 169078102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).