[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane

C219H195NO5P12 — CID 162274098

IUPAC[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane
SMILESCOc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.Cc1cccc(P)c1.c1ccc(C2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2c3ccccc3CCc3ccccc32)cc1.c1ccc(P(c2ccccc2)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28OP2.C33H25OP.C30H28O2P2.C27H22NOP.C27H23P.C25H22P2.2C17H19P.C7H9P/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27;1-5-13-23(14-6-1)33(24-15-7-2-8-16-24)27-21-31-30-28(22-32-29(27)30)34(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23;1-3-13-23(14-4-1)28(24-15-5-2-6-16-24)27-25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)27;1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-6-3-2-4-7(8)5-6/h1-28H;2-23H,1H3;1-20,27-30H,21-22H2;1-19,25H,20H2;1-18,27H,19-20H2;1-20H,21H2;2*1-6,9-12,17H,7-8,13-14H2;2-5H,8H2,1H3/t;;27-,28-,29+,30+;;;;;;/m..0....../s1
InChIKeyGKIQQEDGDPWAJP-AWSNXBOHSA-N
MW3292.66 g/mol
LogP45.01
Rot. Bonds39

About [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane

[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane (PubChem CID 162274098) has the molecular formula C219H195NO5P12 and a molecular weight of 3292.66 g/mol. Its IUPAC name is [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane.

Molecular Properties

Compound Name[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane
PubChem CID162274098
Molecular FormulaC219H195NO5P12
Molecular Weight3292.66 g/mol
Exact Mass3290.19
IUPAC Name[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane
SMILESCOc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.Cc1cccc(P)c1.c1ccc(C2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2c3ccccc3CCc3ccccc32)cc1.c1ccc(P(c2ccccc2)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28OP2.C33H25OP.C30H28O2P2.C27H22NOP.C27H23P.C25H22P2.2C17H19P.C7H9P/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27;1-5-13-23(14-6-1)33(24-15-7-2-8-16-24)27-21-31-30-28(22-32-29(27)30)34(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23;1-3-13-23(14-4-1)28(24-15-5-2-6-16-24)27-25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)27;1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-6-3-2-4-7(8)5-6/h1-28H;2-23H,1H3;1-20,27-30H,21-22H2;1-19,25H,20H2;1-18,27H,19-20H2;1-20H,21H2;2*1-6,9-12,17H,7-8,13-14H2;2-5H,8H2,1H3/t;;27-,28-,29+,30+;;;;;;/m..0....../s1
InChIKeyGKIQQEDGDPWAJP-AWSNXBOHSA-N
XLogP45.01
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds39
Heavy Atoms237
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003292.66
LogP ≤ 545.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane?
The IUPAC name of [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane (CID 162274098) is [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane.
What is the SMILES notation for [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane?
The canonical SMILES for [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane is COc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.Cc1cccc(P)c1.c1ccc(C2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2c3ccccc3CCc3ccccc32)cc1.c1ccc(P(c2ccccc2)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane?
The InChIKey is GKIQQEDGDPWAJP-AWSNXBOHSA-N. The full InChI is InChI=1S/C36H28OP2.C33H25OP.C30H28O2P2.C27H22NOP.C27H23P.C25H22P2.2C17H19P.C7H9P/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27;1-5-13-23(14-6-1)33(24-15-7-2-8-16-24)27-21-31-30-28(22-32-29(27)30)34(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23;1-3-13-23(14-4-1)28(24-15-5-2-6-16-24)27-25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)27;1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-6-3-2-4-7(8)5-6/h1-28H;2-23H,1H3;1-20,27-30H,21-22H2;1-19,25H,20H2;1-18,27H,19-20H2;1-20H,21H2;2*1-6,9-12,17H,7-8,13-14H2;2-5H,8H2,1H3/t;;27-,28-,29+,30+;;;;;;/m..0....../s1.
What are the key properties of [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane?
[(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane has a molecular weight of 3292.66 g/mol, XLogP of 45.01, 39 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,6S,6aS)-6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-diphenylphosphane;bis(cyclopentyl(diphenyl)phosphane);diphenyl-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phosphane;diphenylphosphanylmethyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane;[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;(3-methylphenyl)phosphane is sourced from PubChem (CID 162274098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).