Solomon link

C244H258N48O8S16 — CID 154706833

IUPAC—
SMILESCC(C)CCn1c2nc3ccc(cc31)OCCCCC/C=C\CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)-c1cccc(n1)-c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc(n1)-c1nc3ccc(cc3n1CCC(C)C)OCCCCC/C=C/CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)-c1cccc(n1)-c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc-2n1.CC(C)CCn1c2nc3ccc(cc31)OCCCCC/C=C\CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)-c1cccc(n1)-c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc(n1)-c1nc3ccc(cc3n1CCC(C)C)OCCCCC/C=C\CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)C1C=CC=C(N1)c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc-2n1
InChIInChI=1S/C122H130N24O4S8.C122H128N24O4S8/c2*1-73(2)53-57-143-99-69-79-45-49-83(99)129-103(143)87-37-33-41-91(123-87)107-133-115-119(151-107)137-111(155-115)95-65-77(141(9)10)66-96(127-95)112-138-120-116(156-112)134-108(152-120)92-42-34-38-88(124-92)104-131-85-51-47-81(71-101(85)145(104)59-55-75(5)6)149-63-31-27-23-19-15-16-20-24-28-32-64-150-82-48-52-86-102(72-82)146(60-56-76(7)8)106(132-86)90-40-36-44-94(126-90)110-136-118-122(154-110)140-114(158-118)98-68-78(142(11)12)67-97(128-98)113-139-121-117(157-113)135-109(153-121)93-43-35-39-89(125-93)105-130-84-50-46-80(70-100(84)144(105)58-54-74(3)4)148-62-30-26-22-18-14-13-17-21-25-29-61-147-79/h13-16,33-52,65-76,87,123H,17-32,53-64H2,1-12H3;13-16,33-52,65-76H,17-32,53-64H2,1-12H3/b14-13-,16-15-;14-13-,16-15+
InChIKeyLFJUOHHGMOEMIJ-JHRDMXKQSA-N
MW4504.15 g/mol
LogP64.76
Rot. Bonds28

About Solomon link

Solomon link (PubChem CID 154706833) has the molecular formula C244H258N48O8S16 and a molecular weight of 4504.15 g/mol.

Molecular Properties

Compound NameSolomon link
PubChem CID154706833
Molecular FormulaC244H258N48O8S16
Molecular Weight4504.15 g/mol
Exact Mass4499.68
IUPAC Name—
SMILESCC(C)CCn1c2nc3ccc(cc31)OCCCCC/C=C\CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)-c1cccc(n1)-c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc(n1)-c1nc3ccc(cc3n1CCC(C)C)OCCCCC/C=C/CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)-c1cccc(n1)-c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc-2n1.CC(C)CCn1c2nc3ccc(cc31)OCCCCC/C=C\CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)-c1cccc(n1)-c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc(n1)-c1nc3ccc(cc3n1CCC(C)C)OCCCCC/C=C\CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)C1C=CC=C(N1)c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc-2n1
InChIInChI=1S/C122H130N24O4S8.C122H128N24O4S8/c2*1-73(2)53-57-143-99-69-79-45-49-83(99)129-103(143)87-37-33-41-91(123-87)107-133-115-119(151-107)137-111(155-115)95-65-77(141(9)10)66-96(127-95)112-138-120-116(156-112)134-108(152-120)92-42-34-38-88(124-92)104-131-85-51-47-81(71-101(85)145(104)59-55-75(5)6)149-63-31-27-23-19-15-16-20-24-28-32-64-150-82-48-52-86-102(72-82)146(60-56-76(7)8)106(132-86)90-40-36-44-94(126-90)110-136-118-122(154-110)140-114(158-118)98-68-78(142(11)12)67-97(128-98)113-139-121-117(157-113)135-109(153-121)93-43-35-39-89(125-93)105-130-84-50-46-80(70-100(84)144(105)58-54-74(3)4)148-62-30-26-22-18-14-13-17-21-25-29-61-147-79/h13-16,33-52,65-76,87,123H,17-32,53-64H2,1-12H3;13-16,33-52,65-76H,17-32,53-64H2,1-12H3/b14-13-,16-15-;14-13-,16-15+
InChIKeyLFJUOHHGMOEMIJ-JHRDMXKQSA-N
XLogP64.76
TPSA589.42 Ų
H-Bond Donors1
H-Bond Acceptors72
Rotatable Bonds28
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004504.15
LogP ≤ 564.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1072

Analyze Solomon link 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 Solomon link?
The IUPAC name of Solomon link (CID 154706833) is not available.
What is the SMILES notation for Solomon link?
The canonical SMILES for Solomon link is CC(C)CCn1c2nc3ccc(cc31)OCCCCC/C=C\CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)-c1cccc(n1)-c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc(n1)-c1nc3ccc(cc3n1CCC(C)C)OCCCCC/C=C/CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)-c1cccc(n1)-c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc-2n1.CC(C)CCn1c2nc3ccc(cc31)OCCCCC/C=C\CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)-c1cccc(n1)-c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc(n1)-c1nc3ccc(cc3n1CCC(C)C)OCCCCC/C=C\CCCCCOc1ccc3nc(n(CCC(C)C)c3c1)C1C=CC=C(N1)c1nc3sc(nc3s1)-c1cc(N(C)C)cc(n1)-c1nc3sc(nc3s1)-c1cccc-2n1.
What is the InChIKey of Solomon link?
The InChIKey is LFJUOHHGMOEMIJ-JHRDMXKQSA-N. The full InChI is InChI=1S/C122H130N24O4S8.C122H128N24O4S8/c2*1-73(2)53-57-143-99-69-79-45-49-83(99)129-103(143)87-37-33-41-91(123-87)107-133-115-119(151-107)137-111(155-115)95-65-77(141(9)10)66-96(127-95)112-138-120-116(156-112)134-108(152-120)92-42-34-38-88(124-92)104-131-85-51-47-81(71-101(85)145(104)59-55-75(5)6)149-63-31-27-23-19-15-16-20-24-28-32-64-150-82-48-52-86-102(72-82)146(60-56-76(7)8)106(132-86)90-40-36-44-94(126-90)110-136-118-122(154-110)140-114(158-118)98-68-78(142(11)12)67-97(128-98)113-139-121-117(157-113)135-109(153-121)93-43-35-39-89(125-93)105-130-84-50-46-80(70-100(84)144(105)58-54-74(3)4)148-62-30-26-22-18-14-13-17-21-25-29-61-147-79/h13-16,33-52,65-76,87,123H,17-32,53-64H2,1-12H3;13-16,33-52,65-76H,17-32,53-64H2,1-12H3/b14-13-,16-15-;14-13-,16-15+.
What are the key properties of Solomon link?
Solomon link has a molecular weight of 4504.15 g/mol, XLogP of 64.76, 28 rotatable bonds, 1 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for Solomon link is sourced from PubChem (CID 154706833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).