2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium

C155H123N8O4PS3+2 — CID 158506180

IUPAC2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium
SMILESCP(=O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.Cc1ccc(-c2[nH]c3ccccc3[n+]2-c2ccccc2)cc1.Cc1ccc(-c2nc3ccccc3o2)cc1.Cc1ccc(-c2nc3ccccc3s2)cc1.Cc1cccc(-c2[nH]c3ccccc3[n+]2-c2ccccc2)c1.Cc1cccc(-c2ccc3oc4ccccc4c3c2)c1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2nc3ccccc3o2)c1.Cc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C21H17OP.2C20H16N2.C19H14O.C19H14S.2C14H11NO.2C14H11NS/c1-23(22,20-12-10-16-6-2-4-8-18(16)14-20)21-13-11-17-7-3-5-9-19(17)15-21;1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17;1-15-11-13-16(14-12-15)20-21-18-9-5-6-10-19(18)22(20)17-7-3-2-4-8-17;2*1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-15H,1H3;2*2-14H,1H3;2*2-12H,1H3;4*2-9H,1H3/p+2
InChIKeyHIPFGKIUBDNPSF-UHFFFAOYSA-P
MW2288.92 g/mol
LogP41.52
Rot. Bonds12

About 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium

2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium (PubChem CID 158506180) has the molecular formula C155H123N8O4PS3+2 and a molecular weight of 2288.92 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium
PubChem CID158506180
Molecular FormulaC155H123N8O4PS3+2
Molecular Weight2288.92 g/mol
Exact Mass2286.86
IUPAC Name2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium
SMILESCP(=O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.Cc1ccc(-c2[nH]c3ccccc3[n+]2-c2ccccc2)cc1.Cc1ccc(-c2nc3ccccc3o2)cc1.Cc1ccc(-c2nc3ccccc3s2)cc1.Cc1cccc(-c2[nH]c3ccccc3[n+]2-c2ccccc2)c1.Cc1cccc(-c2ccc3oc4ccccc4c3c2)c1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2nc3ccccc3o2)c1.Cc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C21H17OP.2C20H16N2.C19H14O.C19H14S.2C14H11NO.2C14H11NS/c1-23(22,20-12-10-16-6-2-4-8-18(16)14-20)21-13-11-17-7-3-5-9-19(17)15-21;1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17;1-15-11-13-16(14-12-15)20-21-18-9-5-6-10-19(18)22(20)17-7-3-2-4-8-17;2*1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-15H,1H3;2*2-14H,1H3;2*2-12H,1H3;4*2-9H,1H3/p+2
InChIKeyHIPFGKIUBDNPSF-UHFFFAOYSA-P
XLogP41.52
TPSA147.39 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002288.92
LogP ≤ 541.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(E)-3-[4-[[2-[(3E)-3-(2,5-dihydroxy-3,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)propyl]-1,3-benzothiazol-6-yl]methyl]-2,5-dihydroxy-3,6-dimethylphenyl]prop-2-enyl]-1,3-benzoxazol-6-yl]methyl]-5-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 123381836
2-[[2-[(3E)-3-[(4E)-4-[[2-[(E)-3-(2,5-dihydroxy-3,4,6-trimethylphenyl)prop-2-enyl]-1,3-benzothiazol-6-yl]methylidene]-2,5-dihydroxy-3,6-dimethylcyclohexa-2,5-dien-1-ylidene]propyl]-1,3-benzoxazol-6-yl]methyl]-5-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 123423823
tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;2-[1-(2-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one;2-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one
CID 160956842
2-[7-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-4-(2-benzylsulfanylphenyl)-3-(1H-indol-2-yl)-2H-1,3-benzothiazol-5-yl]-1,3-benzoxazole
CID 91045967
2-[8-[12-(1,3-Benzothiazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-2-[12-(1-methylbenzimidazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369561
2-[2-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-3,4-dihydronaphthalen-2-yl]-1,3-benzoxazole
CID 140981320
2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-1H-benzimidazol-2-yl]-1,3-benzoxazole
CID 140991667
6-(1H-benzimidazol-2-yl)-5-(1,3-benzoselenazol-2-yl)-3-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-yl)chromen-4-one
CID 141015826
2-[7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydroindol-1-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 141026524
2-[2-(1H-benzimidazol-2-yl)-5-(1,2,3-benzothiadiazol-4-yl)-6-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole
CID 141036240
4-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-5-(1-benzothiophen-2-yl)-1,3-benzoxazole
CID 141050981
N-(1H-benzimidazol-2-yl)-N-[2-(1,3-benzoxazol-2-yl)-9H-carbazol-1-yl]-1,3-benzothiazol-2-amine
CID 141099358

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium?
The IUPAC name of 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium (CID 158506180) is 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium.
What is the SMILES notation for 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium?
The canonical SMILES for 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium is CP(=O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.Cc1ccc(-c2[nH]c3ccccc3[n+]2-c2ccccc2)cc1.Cc1ccc(-c2nc3ccccc3o2)cc1.Cc1ccc(-c2nc3ccccc3s2)cc1.Cc1cccc(-c2[nH]c3ccccc3[n+]2-c2ccccc2)c1.Cc1cccc(-c2ccc3oc4ccccc4c3c2)c1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2nc3ccccc3o2)c1.Cc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium?
The InChIKey is HIPFGKIUBDNPSF-UHFFFAOYSA-P. The full InChI is InChI=1S/C21H17OP.2C20H16N2.C19H14O.C19H14S.2C14H11NO.2C14H11NS/c1-23(22,20-12-10-16-6-2-4-8-18(16)14-20)21-13-11-17-7-3-5-9-19(17)15-21;1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17;1-15-11-13-16(14-12-15)20-21-18-9-5-6-10-19(18)22(20)17-7-3-2-4-8-17;2*1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-15H,1H3;2*2-14H,1H3;2*2-12H,1H3;4*2-9H,1H3/p+2.
What are the key properties of 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium?
2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium has a molecular weight of 2288.92 g/mol, XLogP of 41.52, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-yl)phosphoryl]naphthalene;2-(3-methylphenyl)-1,3-benzothiazole;2-(4-methylphenyl)-1,3-benzothiazole;2-(3-methylphenyl)-1,3-benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;2-(3-methylphenyl)dibenzofuran;2-(3-methylphenyl)dibenzothiophene;2-(3-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-phenyl-1H-benzimidazol-3-ium is sourced from PubChem (CID 158506180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).