CID 157182455

C260H232Ir5N10O5Si5-10 — CID 157182455

IUPAC—
SMILES[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/5C36H30NOSi.C20H18N.C17H20N.C16H18N.C14H14N.C13H12N.5Ir/c5*1-22-17-26(39(3,4)5)15-16-27(22)31-19-34(37-21-23(31)2)30-12-8-11-29-33-18-25-14-13-24-9-6-7-10-28(24)32(25)20-35(33)38-36(29)30;1-14-9-10-18(20-11-15(2)16(3)13-21-20)12-19(14)17-7-5-4-6-8-17;1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h5*6-11,13-21H,1-5H3;4-9,11-13H,1-3H3;5-8,10,12H,11H2,1-4H3;5-7,9-11H,1-4H3;4-6,8-9H,1-3H3;3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/i5*1D3,2D3;1D3,3D3;1D3,11D2;1D3;1D3,3D3;1D3,2D3;;;;;
InChIKeyJQSPKUVDWZDPSH-RXBARDEWSA-N
MW4734.64 g/mol
LogP68.29
Rot. Bonds40

About CID 157182455

CID 157182455 (PubChem CID 157182455) has the molecular formula C260H232Ir5N10O5Si5-10 and a molecular weight of 4734.64 g/mol.

Molecular Properties

Compound NameCID 157182455
PubChem CID157182455
Molecular FormulaC260H232Ir5N10O5Si5-10
Molecular Weight4734.64 g/mol
Exact Mass4734.88
IUPAC Name—
SMILES[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/5C36H30NOSi.C20H18N.C17H20N.C16H18N.C14H14N.C13H12N.5Ir/c5*1-22-17-26(39(3,4)5)15-16-27(22)31-19-34(37-21-23(31)2)30-12-8-11-29-33-18-25-14-13-24-9-6-7-10-28(24)32(25)20-35(33)38-36(29)30;1-14-9-10-18(20-11-15(2)16(3)13-21-20)12-19(14)17-7-5-4-6-8-17;1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h5*6-11,13-21H,1-5H3;4-9,11-13H,1-3H3;5-8,10,12H,11H2,1-4H3;5-7,9-11H,1-4H3;4-6,8-9H,1-3H3;3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/i5*1D3,2D3;1D3,3D3;1D3,11D2;1D3;1D3,3D3;1D3,2D3;;;;;
InChIKeyJQSPKUVDWZDPSH-RXBARDEWSA-N
XLogP68.29
TPSA194.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds40
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004734.64
LogP ≤ 568.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of CID 157182455?
The IUPAC name of CID 157182455 (CID 157182455) is not available.
What is the SMILES notation for CID 157182455?
The canonical SMILES for CID 157182455 is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)cc1-c1ccc([Si](C)(C)C)cc1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of CID 157182455?
The InChIKey is JQSPKUVDWZDPSH-RXBARDEWSA-N. The full InChI is InChI=1S/5C36H30NOSi.C20H18N.C17H20N.C16H18N.C14H14N.C13H12N.5Ir/c5*1-22-17-26(39(3,4)5)15-16-27(22)31-19-34(37-21-23(31)2)30-12-8-11-29-33-18-25-14-13-24-9-6-7-10-28(24)32(25)20-35(33)38-36(29)30;1-14-9-10-18(20-11-15(2)16(3)13-21-20)12-19(14)17-7-5-4-6-8-17;1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h5*6-11,13-21H,1-5H3;4-9,11-13H,1-3H3;5-8,10,12H,11H2,1-4H3;5-7,9-11H,1-4H3;4-6,8-9H,1-3H3;3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/i5*1D3,2D3;1D3,3D3;1D3,11D2;1D3;1D3,3D3;1D3,2D3;;;;;.
What are the key properties of CID 157182455?
CID 157182455 has a molecular weight of 4734.64 g/mol, XLogP of 68.29, 40 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157182455 is sourced from PubChem (CID 157182455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).