2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene]

C172H124N11O4P3S — CID 161286789

IUPAC2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene]
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3c2c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.c1cncc(-c2cccc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4cccc(-c5cccnc5)c4)n3)c2)c1
InChIInChI=1S/C39H27N3.C37H25OP.C36H24N6.C36H26O2P2S.C24H22N2O/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;38-39(26-13-3-1-4-14-26,27-15-5-2-6-16-27)28-23-24-32-31-19-9-12-22-35(31)37(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)37;1-6-26(25-14-18-37-19-15-25)20-29(9-1)34-40-35(30-10-2-7-27(21-30)32-12-4-16-38-23-32)42-36(41-34)31-11-3-8-28(22-31)33-13-5-17-39-24-33;37-39(27-13-5-1-6-14-27,28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)41-35)40(38,29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h1-27H;1-25H;1-24H;1-26H;4-16H,1-3H3
InChIKeyVFVBUZMBBMXHLK-UHFFFAOYSA-N
MW2533.95 g/mol
LogP39.30
Rot. Bonds24

About 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene]

2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene] (PubChem CID 161286789) has the molecular formula C172H124N11O4P3S and a molecular weight of 2533.95 g/mol. Its IUPAC name is 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene]
PubChem CID161286789
Molecular FormulaC172H124N11O4P3S
Molecular Weight2533.95 g/mol
Exact Mass2531.88
IUPAC Name2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene]
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3c2c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.c1cncc(-c2cccc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4cccc(-c5cccnc5)c4)n3)c2)c1
InChIInChI=1S/C39H27N3.C37H25OP.C36H24N6.C36H26O2P2S.C24H22N2O/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;38-39(26-13-3-1-4-14-26,27-15-5-2-6-16-27)28-23-24-32-31-19-9-12-22-35(31)37(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)37;1-6-26(25-14-18-37-19-15-25)20-29(9-1)34-40-35(30-10-2-7-27(21-30)32-12-4-16-38-23-32)42-36(41-34)31-11-3-8-28(22-31)33-13-5-17-39-24-33;37-39(27-13-5-1-6-14-27,28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)41-35)40(38,29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h1-27H;1-25H;1-24H;1-26H;4-16H,1-3H3
InChIKeyVFVBUZMBBMXHLK-UHFFFAOYSA-N
XLogP39.30
TPSA206.14 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002533.95
LogP ≤ 539.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

2-(6-Diphenylphosphoryl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-thiadiazole;8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline;8-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-quinolin-8-ylphenyl]quinoline
CID 159081081
2,8-Bis(diphenylphosphoryl)dibenzothiophene;3,7-bis(4-fluorophenyl)-11-(4-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene;2,5-diphenyl-1,3,4-oxadiazole;diphenyl-(4-pyridin-4-ylphenyl)borane;4-(3,5-dipyridin-4-ylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine;ethane;4-methylpyridine;toluene
CID 159719626
Diphenyl-bis(4-trinaphthalen-1-ylsilylnaphthalen-1-yl)silane;diphenyl-bis[4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]silane;diphenyl-bis[5-(5-triphenylsilylthiophen-2-yl)thiophen-2-yl]silane;phenyl-tris[4-(4-tripyridin-2-ylsilylphenyl)phenyl]silane;triphenyl-[4-[4-triphenylsilyl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 160746922
2-Dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 161305738

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene]?
The IUPAC name of 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene] (CID 161286789) is 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene] is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3c2c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.c1cncc(-c2cccc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4cccc(-c5cccnc5)c4)n3)c2)c1.
What is the InChIKey of 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene]?
The InChIKey is VFVBUZMBBMXHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3.C37H25OP.C36H24N6.C36H26O2P2S.C24H22N2O/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;38-39(26-13-3-1-4-14-26,27-15-5-2-6-16-27)28-23-24-32-31-19-9-12-22-35(31)37(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)37;1-6-26(25-14-18-37-19-15-25)20-29(9-1)34-40-35(30-10-2-7-27(21-30)32-12-4-16-38-23-32)42-36(41-34)31-11-3-8-28(22-31)33-13-5-17-39-24-33;37-39(27-13-5-1-6-14-27,28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)41-35)40(38,29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h1-27H;1-25H;1-24H;1-26H;4-16H,1-3H3.
What are the key properties of 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene]?
2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene] has a molecular weight of 2533.95 g/mol, XLogP of 39.30, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(diphenylphosphoryl)dibenzothiophene;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-diphenylphosphoryl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 161286789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).