CID 159768640

C161H101GeN19O2Rh4SSi2- — CID 159768640

IUPAC—
SMILES[Rh].[Rh].[Rh].[Rh].[c-]1cc2ccccc2n1-c1ccc2c3ccccc3n(-c3cccc(-n4ccc5cccnc54)n3)c2n1.c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1.c1ccc([Si](c2ccccc2)C2c3ccccc3-c3ccc4oc(-c5cccc6ccc(-c7ccccn7)nc56)nc4c32)cc1.c1ccc([Si](c2ccccc2)n2c3ccccc3c3ccc4cc5c6ccccc6n(-c6cccc(-c7cccc8cccnc78)n6)c5nc4c32)cc1
InChIInChI=1S/C47H30N5Si.C43H26GeN5OS.C40H26N3OSi.C31H19N6.4Rh/c1-3-16-33(17-4-1)53(34-18-5-2-6-19-34)52-42-25-10-8-20-35(42)37-28-27-32-30-39-36-21-7-9-24-41(36)51(47(39)50-45(32)46(37)52)43-26-12-23-40(49-43)38-22-11-14-31-15-13-29-48-44(31)38;1-3-13-27(14-4-1)44(28-15-5-2-6-16-28)49-35-21-10-8-18-30(35)42-41(49)40-38(51-42)25-31-29-17-7-9-20-34(29)48(43(31)47-40)36-26-50-37-23-22-33(46-39(36)37)32-19-11-12-24-45-32;1-3-13-27(14-4-1)45(28-15-5-2-6-16-28)39-31-18-8-7-17-29(31)30-22-24-35-38(36(30)39)43-40(44-35)32-19-11-12-26-21-23-34(42-37(26)32)33-20-9-10-25-41-33;1-3-10-25-21(7-1)16-19-35(25)28-15-14-24-23-9-2-4-11-26(23)37(31(24)34-28)29-13-5-12-27(33-29)36-20-17-22-8-6-18-32-30(22)36;;;;/h1-30H;1-26H;1-25,39H;1-18,20H;;;;/q;;;-1;;;;
InChIKeyBKQVBNCOHHYXGP-UHFFFAOYSA-N
MW2906.18 g/mol
LogP33.77
Rot. Bonds18

About CID 159768640

CID 159768640 (PubChem CID 159768640) has the molecular formula C161H101GeN19O2Rh4SSi2- and a molecular weight of 2906.18 g/mol.

Molecular Properties

Compound NameCID 159768640
PubChem CID159768640
Molecular FormulaC161H101GeN19O2Rh4SSi2-
Molecular Weight2906.18 g/mol
Exact Mass2905.31
IUPAC Name—
SMILES[Rh].[Rh].[Rh].[Rh].[c-]1cc2ccccc2n1-c1ccc2c3ccccc3n(-c3cccc(-n4ccc5cccnc54)n3)c2n1.c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1.c1ccc([Si](c2ccccc2)C2c3ccccc3-c3ccc4oc(-c5cccc6ccc(-c7ccccn7)nc56)nc4c32)cc1.c1ccc([Si](c2ccccc2)n2c3ccccc3c3ccc4cc5c6ccccc6n(-c6cccc(-c7cccc8cccnc78)n6)c5nc4c32)cc1
InChIInChI=1S/C47H30N5Si.C43H26GeN5OS.C40H26N3OSi.C31H19N6.4Rh/c1-3-16-33(17-4-1)53(34-18-5-2-6-19-34)52-42-25-10-8-20-35(42)37-28-27-32-30-39-36-21-7-9-24-41(36)51(47(39)50-45(32)46(37)52)43-26-12-23-40(49-43)38-22-11-14-31-15-13-29-48-44(31)38;1-3-13-27(14-4-1)44(28-15-5-2-6-16-28)49-35-21-10-8-18-30(35)42-41(49)40-38(51-42)25-31-29-17-7-9-20-34(29)48(43(31)47-40)36-26-50-37-23-22-33(46-39(36)37)32-19-11-12-24-45-32;1-3-13-27(14-4-1)45(28-15-5-2-6-16-28)39-31-18-8-7-17-29(31)30-22-24-35-38(36(30)39)43-40(44-35)32-19-11-12-26-21-23-34(42-37(26)32)33-20-9-10-25-41-33;1-3-10-25-21(7-1)16-19-35(25)28-15-14-24-23-9-2-4-11-26(23)37(31(24)34-28)29-13-5-12-27(33-29)36-20-17-22-8-6-18-32-30(22)36;;;;/h1-30H;1-26H;1-25,39H;1-18,20H;;;;/q;;;-1;;;;
InChIKeyBKQVBNCOHHYXGP-UHFFFAOYSA-N
XLogP33.77
TPSA215.47 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002906.18
LogP ≤ 533.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159768640?
The IUPAC name of CID 159768640 (CID 159768640) is not available.
What is the SMILES notation for CID 159768640?
The canonical SMILES for CID 159768640 is [Rh].[Rh].[Rh].[Rh].[c-]1cc2ccccc2n1-c1ccc2c3ccccc3n(-c3cccc(-n4ccc5cccnc54)n3)c2n1.c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1.c1ccc([Si](c2ccccc2)C2c3ccccc3-c3ccc4oc(-c5cccc6ccc(-c7ccccn7)nc56)nc4c32)cc1.c1ccc([Si](c2ccccc2)n2c3ccccc3c3ccc4cc5c6ccccc6n(-c6cccc(-c7cccc8cccnc78)n6)c5nc4c32)cc1.
What is the InChIKey of CID 159768640?
The InChIKey is BKQVBNCOHHYXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N5Si.C43H26GeN5OS.C40H26N3OSi.C31H19N6.4Rh/c1-3-16-33(17-4-1)53(34-18-5-2-6-19-34)52-42-25-10-8-20-35(42)37-28-27-32-30-39-36-21-7-9-24-41(36)51(47(39)50-45(32)46(37)52)43-26-12-23-40(49-43)38-22-11-14-31-15-13-29-48-44(31)38;1-3-13-27(14-4-1)44(28-15-5-2-6-16-28)49-35-21-10-8-18-30(35)42-41(49)40-38(51-42)25-31-29-17-7-9-20-34(29)48(43(31)47-40)36-26-50-37-23-22-33(46-39(36)37)32-19-11-12-24-45-32;1-3-13-27(14-4-1)45(28-15-5-2-6-16-28)39-31-18-8-7-17-29(31)30-22-24-35-38(36(30)39)43-40(44-35)32-19-11-12-26-21-23-34(42-37(26)32)33-20-9-10-25-41-33;1-3-10-25-21(7-1)16-19-35(25)28-15-14-24-23-9-2-4-11-26(23)37(31(24)34-28)29-13-5-12-27(33-29)36-20-17-22-8-6-18-32-30(22)36;;;;/h1-30H;1-26H;1-25,39H;1-18,20H;;;;/q;;;-1;;;;.
What are the key properties of CID 159768640?
CID 159768640 has a molecular weight of 2906.18 g/mol, XLogP of 33.77, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159768640 is sourced from PubChem (CID 159768640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).