bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine

C28H118F2N5O4P87S — CID 160609712

IUPACbis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine
SMILESCC(CF)NCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C5CCOCC5)cc4)cnc3N)on2)c(F)c1.PPP(P)P(P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C28H29F2N5O4S.H89P87/c1-17(14-29)32-15-18-2-7-22(23(30)12-18)24-13-26(39-35-24)27-28(31)33-16-25(34-27)19-3-5-20(6-4-19)40(36,37)21-8-10-38-11-9-21;1-45-67(44)78(66(42)43)84(79(68(46(2)3)47(4)5)69(48(6)7)49(8)9)87(85(80(70(50(10)11)51(12)13)71(52(14)15)53(16)17)81(72(54(18)19)55(20)21)73(56(22)23)57(24)25)86(82(74(58(26)27)59(28)29)75(60(30)31)61(32)33)83(76(62(34)35)63(36)37)77(64(38)39)65(40)41/h2-7,12-13,16-17,21,32H,8-11,14-15H2,1H3,(H2,31,33);45H,1-44H2
InChIKeyRFIUSCASJWBXCG-UHFFFAOYSA-N
MW3354.08 g/mol
LogP55.69
Rot. Bonds51

About bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine

bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine (PubChem CID 160609712) has the molecular formula C28H118F2N5O4P87S and a molecular weight of 3354.08 g/mol. Its IUPAC name is bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Namebis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine
PubChem CID160609712
Molecular FormulaC28H118F2N5O4P87S
Molecular Weight3354.08 g/mol
Exact Mass3353.60
IUPAC Namebis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine
SMILESCC(CF)NCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C5CCOCC5)cc4)cnc3N)on2)c(F)c1.PPP(P)P(P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C28H29F2N5O4S.H89P87/c1-17(14-29)32-15-18-2-7-22(23(30)12-18)24-13-26(39-35-24)27-28(31)33-16-25(34-27)19-3-5-20(6-4-19)40(36,37)21-8-10-38-11-9-21;1-45-67(44)78(66(42)43)84(79(68(46(2)3)47(4)5)69(48(6)7)49(8)9)87(85(80(70(50(10)11)51(12)13)71(52(14)15)53(16)17)81(72(54(18)19)55(20)21)73(56(22)23)57(24)25)86(82(74(58(26)27)59(28)29)75(60(30)31)61(32)33)83(76(62(34)35)63(36)37)77(64(38)39)65(40)41/h2-7,12-13,16-17,21,32H,8-11,14-15H2,1H3,(H2,31,33);45H,1-44H2
InChIKeyRFIUSCASJWBXCG-UHFFFAOYSA-N
XLogP55.69
TPSA133.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds51
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003354.08
LogP ≤ 555.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine?
The IUPAC name of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine (CID 160609712) is bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine?
The canonical SMILES for bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine is CC(CF)NCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C5CCOCC5)cc4)cnc3N)on2)c(F)c1.PPP(P)P(P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine?
The InChIKey is RFIUSCASJWBXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O4S.H89P87/c1-17(14-29)32-15-18-2-7-22(23(30)12-18)24-13-26(39-35-24)27-28(31)33-16-25(34-27)19-3-5-20(6-4-19)40(36,37)21-8-10-38-11-9-21;1-45-67(44)78(66(42)43)84(79(68(46(2)3)47(4)5)69(48(6)7)49(8)9)87(85(80(70(50(10)11)51(12)13)71(52(14)15)53(16)17)81(72(54(18)19)55(20)21)73(56(22)23)57(24)25)86(82(74(58(26)27)59(28)29)75(60(30)31)61(32)33)83(76(62(34)35)63(36)37)77(64(38)39)65(40)41/h2-7,12-13,16-17,21,32H,8-11,14-15H2,1H3,(H2,31,33);45H,1-44H2.
What are the key properties of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine?
bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine has a molecular weight of 3354.08 g/mol, XLogP of 55.69, 51 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 160609712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).