CID 157337480

C216H160B5N23O7Pt5Si5-10 — CID 157337480

IUPAC—
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)[Si](C)(C)c2cccc4c2n-3[c-][n+]4-c2ccccc2)[c-]c(N2B3c4ccccc4-c4ccccc4N3c3cccnc32)c1.C[Si]1(C)c2ccc(Oc3[c-]c(N4B(c5ccccc5)Oc5cccnc54)ccc3)[c-]c2-n2[c-][n+](-c3ccccc3)c3cccc1c32.C[Si]1(C)c2ccc(Oc3[c-]c(N4B5c6ccccc6-c6ccccc6N5c5cccnc54)ccc3)[c-]c2-n2[c-][n+](-c3ccccc3)c3cccc1c32.Cc1cccc(C)c1B1Oc2cccnc2N1c1[c-]c(Oc2[c-]c3c(cc2)[Si](C)(C)c2cccc4c2n-3[c-][n+]4-c2ccccc2)ccc1.Cc1cccc(C)c1N1B2c3ccccc3-c3ccc(Oc4[c-]c5c(cc4)[Si](C)(C)c4cccc6c4n-5[c-][n+]6-c4ccccc4)[c-]c3N2c2ncccc21.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C48H38BN5OSi.C46H34BN5OSi.C44H30BN5OSi.C40H31BN4O2Si.C38H27BN4O2Si.5Pt/c1-48(2,3)32-27-34(53-47-42(22-14-26-50-47)54-40-20-12-10-18-38(40)37-17-9-11-19-39(37)49(53)54)29-36(28-32)55-35-24-25-44-43(30-35)52-31-51(33-15-7-6-8-16-33)41-21-13-23-45(46(41)52)56(44,4)5;1-30-13-10-14-31(2)44(30)51-39-20-12-26-48-46(39)52-40-27-33(22-24-36(40)35-17-8-9-18-37(35)47(51)52)53-34-23-25-42-41(28-34)50-29-49(32-15-6-5-7-16-32)38-19-11-21-43(45(38)50)54(42,3)4;1-52(2)41-25-24-33(28-40(41)48-29-47(30-13-4-3-5-14-30)38-21-11-23-42(52)43(38)48)51-32-16-10-15-31(27-32)49-44-39(22-12-26-46-44)50-37-20-9-7-18-35(37)34-17-6-8-19-36(34)45(49)50;1-27-12-8-13-28(2)38(27)41-45(40-35(47-41)19-11-23-42-40)30-16-9-17-31(24-30)46-32-21-22-36-34(25-32)44-26-43(29-14-6-5-7-15-29)33-18-10-20-37(39(33)44)48(36,3)4;1-46(2)35-22-21-31(25-33(35)42-26-41(28-14-7-4-8-15-28)32-18-10-20-36(46)37(32)42)44-30-17-9-16-29(24-30)43-38-34(19-11-23-40-38)45-39(43)27-12-5-3-6-13-27;;;;;/h6-28H,1-5H3;5-26H,1-4H3;3-26H,1-2H3;5-23H,1-4H3;3-23H,1-2H3;;;;;/q5*-2;;;;;
InChIKeyUJQUCXKVKUPJII-UHFFFAOYSA-N
MW4359.69 g/mol
LogP35.52
Rot. Bonds22

About CID 157337480

CID 157337480 (PubChem CID 157337480) has the molecular formula C216H160B5N23O7Pt5Si5-10 and a molecular weight of 4359.69 g/mol.

Molecular Properties

Compound NameCID 157337480
PubChem CID157337480
Molecular FormulaC216H160B5N23O7Pt5Si5-10
Molecular Weight4359.69 g/mol
Exact Mass4357.05
IUPAC Name—
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)[Si](C)(C)c2cccc4c2n-3[c-][n+]4-c2ccccc2)[c-]c(N2B3c4ccccc4-c4ccccc4N3c3cccnc32)c1.C[Si]1(C)c2ccc(Oc3[c-]c(N4B(c5ccccc5)Oc5cccnc54)ccc3)[c-]c2-n2[c-][n+](-c3ccccc3)c3cccc1c32.C[Si]1(C)c2ccc(Oc3[c-]c(N4B5c6ccccc6-c6ccccc6N5c5cccnc54)ccc3)[c-]c2-n2[c-][n+](-c3ccccc3)c3cccc1c32.Cc1cccc(C)c1B1Oc2cccnc2N1c1[c-]c(Oc2[c-]c3c(cc2)[Si](C)(C)c2cccc4c2n-3[c-][n+]4-c2ccccc2)ccc1.Cc1cccc(C)c1N1B2c3ccccc3-c3ccc(Oc4[c-]c5c(cc4)[Si](C)(C)c4cccc6c4n-5[c-][n+]6-c4ccccc4)[c-]c3N2c2ncccc21.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C48H38BN5OSi.C46H34BN5OSi.C44H30BN5OSi.C40H31BN4O2Si.C38H27BN4O2Si.5Pt/c1-48(2,3)32-27-34(53-47-42(22-14-26-50-47)54-40-20-12-10-18-38(40)37-17-9-11-19-39(37)49(53)54)29-36(28-32)55-35-24-25-44-43(30-35)52-31-51(33-15-7-6-8-16-33)41-21-13-23-45(46(41)52)56(44,4)5;1-30-13-10-14-31(2)44(30)51-39-20-12-26-48-46(39)52-40-27-33(22-24-36(40)35-17-8-9-18-37(35)47(51)52)53-34-23-25-42-41(28-34)50-29-49(32-15-6-5-7-16-32)38-19-11-21-43(45(38)50)54(42,3)4;1-52(2)41-25-24-33(28-40(41)48-29-47(30-13-4-3-5-14-30)38-21-11-23-42(52)43(38)48)51-32-16-10-15-31(27-32)49-44-39(22-12-26-46-44)50-37-20-9-7-18-35(37)34-17-6-8-19-36(34)45(49)50;1-27-12-8-13-28(2)38(27)41-45(40-35(47-41)19-11-23-42-40)30-16-9-17-31(24-30)46-32-21-22-36-34(25-32)44-26-43(29-14-6-5-7-15-29)33-18-10-20-37(39(33)44)48(36,3)4;1-46(2)35-22-21-31(25-33(35)42-26-41(28-14-7-4-8-15-28)32-18-10-20-36(46)37(32)42)44-30-17-9-16-29(24-30)43-38-34(19-11-23-40-38)45-39(43)27-12-5-3-6-13-27;;;;;/h6-28H,1-5H3;5-26H,1-4H3;3-26H,1-2H3;5-23H,1-4H3;3-23H,1-2H3;;;;;/q5*-2;;;;;
InChIKeyUJQUCXKVKUPJII-UHFFFAOYSA-N
XLogP35.52
TPSA199.03 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004359.69
LogP ≤ 535.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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Related Compounds

CID 161150867
CID 161150867
3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum
CID 161276435
CID 156622945
CID 156622945
CID 158253264
CID 158253264
CID 156623010
CID 156623010
CID 156623287
CID 156623287
CID 161171444
CID 161171444
CID 164729192
CID 164729192
3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum
CID 156623021
3-[3-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum
CID 156622889
CID 156623106
CID 156623106
CID 156622911
CID 156622911

Frequently Asked Questions

What is the IUPAC name of CID 157337480?
The IUPAC name of CID 157337480 (CID 157337480) is not available.
What is the SMILES notation for CID 157337480?
The canonical SMILES for CID 157337480 is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)[Si](C)(C)c2cccc4c2n-3[c-][n+]4-c2ccccc2)[c-]c(N2B3c4ccccc4-c4ccccc4N3c3cccnc32)c1.C[Si]1(C)c2ccc(Oc3[c-]c(N4B(c5ccccc5)Oc5cccnc54)ccc3)[c-]c2-n2[c-][n+](-c3ccccc3)c3cccc1c32.C[Si]1(C)c2ccc(Oc3[c-]c(N4B5c6ccccc6-c6ccccc6N5c5cccnc54)ccc3)[c-]c2-n2[c-][n+](-c3ccccc3)c3cccc1c32.Cc1cccc(C)c1B1Oc2cccnc2N1c1[c-]c(Oc2[c-]c3c(cc2)[Si](C)(C)c2cccc4c2n-3[c-][n+]4-c2ccccc2)ccc1.Cc1cccc(C)c1N1B2c3ccccc3-c3ccc(Oc4[c-]c5c(cc4)[Si](C)(C)c4cccc6c4n-5[c-][n+]6-c4ccccc4)[c-]c3N2c2ncccc21.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of CID 157337480?
The InChIKey is UJQUCXKVKUPJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38BN5OSi.C46H34BN5OSi.C44H30BN5OSi.C40H31BN4O2Si.C38H27BN4O2Si.5Pt/c1-48(2,3)32-27-34(53-47-42(22-14-26-50-47)54-40-20-12-10-18-38(40)37-17-9-11-19-39(37)49(53)54)29-36(28-32)55-35-24-25-44-43(30-35)52-31-51(33-15-7-6-8-16-33)41-21-13-23-45(46(41)52)56(44,4)5;1-30-13-10-14-31(2)44(30)51-39-20-12-26-48-46(39)52-40-27-33(22-24-36(40)35-17-8-9-18-37(35)47(51)52)53-34-23-25-42-41(28-34)50-29-49(32-15-6-5-7-16-32)38-19-11-21-43(45(38)50)54(42,3)4;1-52(2)41-25-24-33(28-40(41)48-29-47(30-13-4-3-5-14-30)38-21-11-23-42(52)43(38)48)51-32-16-10-15-31(27-32)49-44-39(22-12-26-46-44)50-37-20-9-7-18-35(37)34-17-6-8-19-36(34)45(49)50;1-27-12-8-13-28(2)38(27)41-45(40-35(47-41)19-11-23-42-40)30-16-9-17-31(24-30)46-32-21-22-36-34(25-32)44-26-43(29-14-6-5-7-15-29)33-18-10-20-37(39(33)44)48(36,3)4;1-46(2)35-22-21-31(25-33(35)42-26-41(28-14-7-4-8-15-28)32-18-10-20-36(46)37(32)42)44-30-17-9-16-29(24-30)43-38-34(19-11-23-40-38)45-39(43)27-12-5-3-6-13-27;;;;;/h6-28H,1-5H3;5-26H,1-4H3;3-26H,1-2H3;5-23H,1-4H3;3-23H,1-2H3;;;;;/q5*-2;;;;;.
What are the key properties of CID 157337480?
CID 157337480 has a molecular weight of 4359.69 g/mol, XLogP of 35.52, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157337480 is sourced from PubChem (CID 157337480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).