2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline

C147H109N6O6P5S — CID 161133877

IUPAC2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline
SMILESCn1c(-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)c(-c2ccccc2)c2ccccc21.O=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cncc3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C33H26NOP.C33H24NOP.C31H23N2OP.C25H18NO2P.C25H18NOPS/c1-34-31-20-12-11-19-30(31)32(25-13-5-2-6-14-25)33(34)26-21-23-29(24-22-26)36(35,27-15-7-3-8-16-27)28-17-9-4-10-18-28;35-36(29-12-5-2-6-13-29,30-19-15-26(16-20-30)25-9-3-1-4-10-25)31-21-17-27(18-22-31)33-24-34-23-28-11-7-8-14-32(28)33;34-35(26-14-6-2-7-15-26,27-16-8-3-9-17-27)28-22-20-24(21-23-28)31-32-29-18-10-11-19-30(29)33(31)25-12-4-1-5-13-25;27-29(20-9-3-1-4-10-20,21-11-5-2-6-12-21)22-17-15-19(16-18-22)25-26-23-13-7-8-14-24(23)28-25;27-28(20-9-3-1-4-10-20,21-11-5-2-6-12-21)22-17-15-19(16-18-22)25-26-23-13-7-8-14-24(23)29-25/h2-24H,1H3;1-24H;1-23H;2*1-18H
InChIKeyUMNSYRZNXJQSLS-UHFFFAOYSA-N
MW2242.46 g/mol
LogP31.43
Rot. Bonds23

About 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline

2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline (PubChem CID 161133877) has the molecular formula C147H109N6O6P5S and a molecular weight of 2242.46 g/mol. Its IUPAC name is 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline.

Molecular Properties

Compound Name2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline
PubChem CID161133877
Molecular FormulaC147H109N6O6P5S
Molecular Weight2242.46 g/mol
Exact Mass2240.68
IUPAC Name2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline
SMILESCn1c(-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)c(-c2ccccc2)c2ccccc21.O=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cncc3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C33H26NOP.C33H24NOP.C31H23N2OP.C25H18NO2P.C25H18NOPS/c1-34-31-20-12-11-19-30(31)32(25-13-5-2-6-14-25)33(34)26-21-23-29(24-22-26)36(35,27-15-7-3-8-16-27)28-17-9-4-10-18-28;35-36(29-12-5-2-6-13-29,30-19-15-26(16-20-30)25-9-3-1-4-10-25)31-21-17-27(18-22-31)33-24-34-23-28-11-7-8-14-32(28)33;34-35(26-14-6-2-7-15-26,27-16-8-3-9-17-27)28-22-20-24(21-23-28)31-32-29-18-10-11-19-30(29)33(31)25-12-4-1-5-13-25;27-29(20-9-3-1-4-10-20,21-11-5-2-6-12-21)22-17-15-19(16-18-22)25-26-23-13-7-8-14-24(23)28-25;27-28(20-9-3-1-4-10-20,21-11-5-2-6-12-21)22-17-15-19(16-18-22)25-26-23-13-7-8-14-24(23)29-25/h2-24H,1H3;1-24H;1-23H;2*1-18H
InChIKeyUMNSYRZNXJQSLS-UHFFFAOYSA-N
XLogP31.43
TPSA159.91 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002242.46
LogP ≤ 531.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline with MolForge

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Related Compounds

2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-[3-[5-(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 157966551
1-methyl-2-(2-methylphenyl)benzotriazol-1-ium;2-(2-methylphenyl)-1,3-benzothiazole;2-(2-methylphenyl)-1,3-benzoxazole;(2E)-1-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]imidazol-3-ide;(Z)-3-oxo-1,3-diphenylprop-1-en-1-olate;(Z)-4-oxopent-2-en-2-olate;(Z)-4-oxo-3-phenylpent-2-en-2-olate;1-pyrazin-2-ylethanone
CID 158915645
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160153675
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-naphthalen-1-ylphenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 161805195
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3,5-bis[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-naphthalen-1-ylphenyl]-1,3-benzothiazole;2-[3-[4-[3,5-bis[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 161843635
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;pteridine
CID 69691011
4-([1]Benzothiolo[2,3-a]carbazol-12-yl)-2-[12-[2-(12-isoquinolin-5-yl-[1]benzothiolo[2,3-a]carbazol-9-yl)-1-methylbenzimidazol-4-yl]-[1]benzothiolo[2,3-a]carbazol-9-yl]-1,3-benzoxazole
CID 130369698
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]-1,3-benzoxazole
CID 136657836
2-[3-[6-[[4-[3-[6-[[4-[3-(1,3-Benzoxazol-2-yl)propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1,3-benzothiazol-2-yl]propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1-methylbenzimidazol-2-yl]propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 137507099

Frequently Asked Questions

What is the IUPAC name of 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline?
The IUPAC name of 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline (CID 161133877) is 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline.
What is the SMILES notation for 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline?
The canonical SMILES for 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline is Cn1c(-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)c(-c2ccccc2)c2ccccc21.O=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cncc3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline?
The InChIKey is UMNSYRZNXJQSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26NOP.C33H24NOP.C31H23N2OP.C25H18NO2P.C25H18NOPS/c1-34-31-20-12-11-19-30(31)32(25-13-5-2-6-14-25)33(34)26-21-23-29(24-22-26)36(35,27-15-7-3-8-16-27)28-17-9-4-10-18-28;35-36(29-12-5-2-6-13-29,30-19-15-26(16-20-30)25-9-3-1-4-10-25)31-21-17-27(18-22-31)33-24-34-23-28-11-7-8-14-32(28)33;34-35(26-14-6-2-7-15-26,27-16-8-3-9-17-27)28-22-20-24(21-23-28)31-32-29-18-10-11-19-30(29)33(31)25-12-4-1-5-13-25;27-29(20-9-3-1-4-10-20,21-11-5-2-6-12-21)22-17-15-19(16-18-22)25-26-23-13-7-8-14-24(23)28-25;27-28(20-9-3-1-4-10-20,21-11-5-2-6-12-21)22-17-15-19(16-18-22)25-26-23-13-7-8-14-24(23)29-25/h2-24H,1H3;1-24H;1-23H;2*1-18H.
What are the key properties of 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline?
2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline has a molecular weight of 2242.46 g/mol, XLogP of 31.43, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diphenylphosphorylphenyl)-1,3-benzothiazole;2-(4-diphenylphosphorylphenyl)-1,3-benzoxazole;2-(4-diphenylphosphorylphenyl)-1-methyl-3-phenylindole;2-(4-diphenylphosphorylphenyl)-1-phenylbenzimidazole;4-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]isoquinoline is sourced from PubChem (CID 161133877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).