bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide

C28H125N2O6P97S2 — CID 159458139

IUPACbis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide
SMILESO=C(CCc1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C21OCCO1)NS(O)(O)c1cccs1.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)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C28H26N2O6S2.H99P97/c31-24(29-38(33,34)25-9-4-16-37-25)13-12-21-7-3-8-23-26(21)30(27(32)28(23)35-14-15-36-28)18-19-10-11-20-5-1-2-6-22(20)17-19;1-50-75(51(2)3)87(74(48)49)93(86(72(44)45)73(46)47)96(92(84(68(36)37)69(38)39)85(70(40)41)71(42)43)97(94(88(76(52(4)5)53(6)7)77(54(8)9)55(10)11)89(78(56(12)13)57(14)15)79(58(16)17)59(18)19)95(90(80(60(20)21)61(22)23)81(62(24)25)63(26)27)91(82(64(28)29)65(30)31)83(66(32)33)67(34)35/h1-11,16-17,33-34H,12-15,18H2,(H,29,31);50H,1-49H2
InChIKeyLUFYGISVNXNRRI-UHFFFAOYSA-N
MW3654.93 g/mol
LogP62.46
Rot. Bonds54

About bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide

bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide (PubChem CID 159458139) has the molecular formula C28H125N2O6P97S2 and a molecular weight of 3654.93 g/mol. Its IUPAC name is bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide.

Molecular Properties

Compound Namebis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide
PubChem CID159458139
Molecular FormulaC28H125N2O6P97S2
Molecular Weight3654.93 g/mol
Exact Mass3654.35
IUPAC Namebis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide
SMILESO=C(CCc1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C21OCCO1)NS(O)(O)c1cccs1.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)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C28H26N2O6S2.H99P97/c31-24(29-38(33,34)25-9-4-16-37-25)13-12-21-7-3-8-23-26(21)30(27(32)28(23)35-14-15-36-28)18-19-10-11-20-5-1-2-6-22(20)17-19;1-50-75(51(2)3)87(74(48)49)93(86(72(44)45)73(46)47)96(92(84(68(36)37)69(38)39)85(70(40)41)71(42)43)97(94(88(76(52(4)5)53(6)7)77(54(8)9)55(10)11)89(78(56(12)13)57(14)15)79(58(16)17)59(18)19)95(90(80(60(20)21)61(22)23)81(62(24)25)63(26)27)91(82(64(28)29)65(30)31)83(66(32)33)67(34)35/h1-11,16-17,33-34H,12-15,18H2,(H,29,31);50H,1-49H2
InChIKeyLUFYGISVNXNRRI-UHFFFAOYSA-N
XLogP62.46
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds54
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003654.93
LogP ≤ 562.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide with MolForge

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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[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide?
The IUPAC name of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide (CID 159458139) is bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide.
What is the SMILES notation for bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide?
The canonical SMILES for bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide is O=C(CCc1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C21OCCO1)NS(O)(O)c1cccs1.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)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[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide?
The InChIKey is LUFYGISVNXNRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6S2.H99P97/c31-24(29-38(33,34)25-9-4-16-37-25)13-12-21-7-3-8-23-26(21)30(27(32)28(23)35-14-15-36-28)18-19-10-11-20-5-1-2-6-22(20)17-19;1-50-75(51(2)3)87(74(48)49)93(86(72(44)45)73(46)47)96(92(84(68(36)37)69(38)39)85(70(40)41)71(42)43)97(94(88(76(52(4)5)53(6)7)77(54(8)9)55(10)11)89(78(56(12)13)57(14)15)79(58(16)17)59(18)19)95(90(80(60(20)21)61(22)23)81(62(24)25)63(26)27)91(82(64(28)29)65(30)31)83(66(32)33)67(34)35/h1-11,16-17,33-34H,12-15,18H2,(H,29,31);50H,1-49H2.
What are the key properties of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide?
bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide has a molecular weight of 3654.93 g/mol, XLogP of 62.46, 54 rotatable bonds, 3 hydrogen bond donors, and 7 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[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-[dihydroxy(thiophen-2-yl)-λ4-sulfanyl]-3-[1'-(naphthalen-2-ylmethyl)-2'-oxospiro[1,3-dioxolane-2,3'-indole]-7'-yl]propanamide is sourced from PubChem (CID 159458139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).