CID 158650263

C193H265Cl8N9P4Ru4S3 — CID 158650263

IUPAC—
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC1=C(C)N(c2c(C)cc(C)cc2C)[CH-]N1c1c(C)cc(C)cc1C.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)=N2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=Cc1cccs1.Cl[Ru](Cl)=Cc1cccs1.Cl[Ru](Cl)=Cc1cccs1
InChIInChI=1S/C26H28N3.C23H29N2.2C21H25N2.4C18H33P.C15H10.3C5H4S.8ClH.4Ru/c1-17-12-19(3)24(20(4)13-17)28-16-29(25-21(5)14-18(2)15-22(25)6)27-26(28)23-10-8-7-9-11-23;1-14-9-16(3)22(17(4)10-14)24-13-25(21(8)20(24)7)23-18(5)11-15(2)12-19(23)6;2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;3*1-5-3-2-4-6-5;;;;;;;;;;;;/h7-16H,1-6H3;9-13H,1-8H3;2*7-13H,1-6H3;4*16-18H,1-15H2;1-9,11H;3*1-4H;8*1H;;;;/q4*-1;;;;;;;;;;;;;;;;;4*+2/p-4
InChIKeySGKSPFAGJAONLG-UHFFFAOYSA-J
MW3619.31 g/mol
LogP61.33
Rot. Bonds25

About CID 158650263

CID 158650263 (PubChem CID 158650263) has the molecular formula C193H265Cl8N9P4Ru4S3 and a molecular weight of 3619.31 g/mol.

Molecular Properties

Compound NameCID 158650263
PubChem CID158650263
Molecular FormulaC193H265Cl8N9P4Ru4S3
Molecular Weight3619.31 g/mol
Exact Mass3616.28
IUPAC Name—
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC1=C(C)N(c2c(C)cc(C)cc2C)[CH-]N1c1c(C)cc(C)cc1C.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)=N2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=Cc1cccs1.Cl[Ru](Cl)=Cc1cccs1.Cl[Ru](Cl)=Cc1cccs1
InChIInChI=1S/C26H28N3.C23H29N2.2C21H25N2.4C18H33P.C15H10.3C5H4S.8ClH.4Ru/c1-17-12-19(3)24(20(4)13-17)28-16-29(25-21(5)14-18(2)15-22(25)6)27-26(28)23-10-8-7-9-11-23;1-14-9-16(3)22(17(4)10-14)24-13-25(21(8)20(24)7)23-18(5)11-15(2)12-19(23)6;2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;3*1-5-3-2-4-6-5;;;;;;;;;;;;/h7-16H,1-6H3;9-13H,1-8H3;2*7-13H,1-6H3;4*16-18H,1-15H2;1-9,11H;3*1-4H;8*1H;;;;/q4*-1;;;;;;;;;;;;;;;;;4*+2/p-4
InChIKeySGKSPFAGJAONLG-UHFFFAOYSA-J
XLogP61.33
TPSA38.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003619.31
LogP ≤ 561.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze CID 158650263 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 CID 158650263?
The IUPAC name of CID 158650263 (CID 158650263) is not available.
What is the SMILES notation for CID 158650263?
The canonical SMILES for CID 158650263 is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC1=C(C)N(c2c(C)cc(C)cc2C)[CH-]N1c1c(C)cc(C)cc1C.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)=N2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=Cc1cccs1.Cl[Ru](Cl)=Cc1cccs1.Cl[Ru](Cl)=Cc1cccs1.
What is the InChIKey of CID 158650263?
The InChIKey is SGKSPFAGJAONLG-UHFFFAOYSA-J. The full InChI is InChI=1S/C26H28N3.C23H29N2.2C21H25N2.4C18H33P.C15H10.3C5H4S.8ClH.4Ru/c1-17-12-19(3)24(20(4)13-17)28-16-29(25-21(5)14-18(2)15-22(25)6)27-26(28)23-10-8-7-9-11-23;1-14-9-16(3)22(17(4)10-14)24-13-25(21(8)20(24)7)23-18(5)11-15(2)12-19(23)6;2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;3*1-5-3-2-4-6-5;;;;;;;;;;;;/h7-16H,1-6H3;9-13H,1-8H3;2*7-13H,1-6H3;4*16-18H,1-15H2;1-9,11H;3*1-4H;8*1H;;;;/q4*-1;;;;;;;;;;;;;;;;;4*+2/p-4.
What are the key properties of CID 158650263?
CID 158650263 has a molecular weight of 3619.31 g/mol, XLogP of 61.33, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158650263 is sourced from PubChem (CID 158650263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).