CID 157170281

C256H155N21O7Pt5S2Si5 — CID 157170281

About CID 157170281

CID 157170281 (PubChem CID 157170281) has the molecular formula C256H155N21O7Pt5S2Si5 and a molecular weight of 4817.15 g/mol.

Molecular Properties

• Compound Name: CID 157170281
• PubChem CID: 157170281
• Molecular Formula: C256H155N21O7Pt5S2Si5
• Molecular Weight: 4817.15 g/mol
• Exact Mass: 4812.89
• IUPAC Name: —
• SMILES: [Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3c1c1ccccc1n3-c1ccccc1)[Si]2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3c1oc1ccccc13)[Si]2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3c1sc1ccccc13)[Si]2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3oc4ccccc4c13)[Si]2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3sc4ccccc4c13)[Si]2(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C56H35N5OSi.2C50H30N4O2Si.2C50H30N4OSSi.5Pt/c1-4-16-38(17-5-1)60-48-25-13-11-23-45(48)54-49(60)30-32-52-55(54)61(53-26-14-15-33-57-53)50-37-40(28-31-51(50)63(52,41-18-6-2-7-19-41)42-20-8-3-9-21-42)62-39-27-29-43-44-22-10-12-24-47(44)59-35-34-58-56(59)46(43)36-39;1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)45-26-23-34(55-33-22-24-37-38-17-7-9-19-41(38)53-30-29-52-50(53)40(37)31-33)32-42(45)54(47-21-11-12-28-51-47)49-46(57)27-25-44-48(49)39-18-8-10-20-43(39)56-44;1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)45-26-23-34(55-33-22-24-37-38-17-7-9-19-42(38)53-30-29-52-50(53)41(37)31-33)32-43(45)54(47-21-11-12-28-51-47)48-46(57)27-25-40-39-18-8-10-20-44(39)56-49(40)48;1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)45-26-23-34(55-33-22-24-37-38-17-7-9-19-41(38)53-30-29-52-50(53)40(37)31-33)32-42(45)54(47-21-11-12-28-51-47)49-46(57)27-25-44-48(49)39-18-8-10-20-43(39)56-44;1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)45-26-23-34(55-33-22-24-37-38-17-7-9-19-42(38)53-30-29-52-50(53)41(37)31-33)32-43(45)54(47-21-11-12-28-51-47)48-46(57)27-25-40-39-18-8-10-20-44(39)56-49(40)48;;;;;/h1-35H;4*1-30H;;;;;/q5*-2;5*+2
• InChIKey: QQJWDRYODSVJSS-UHFFFAOYSA-N
• XLogP: 49.56
• TPSA: 244.51 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 296
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4817.15
LogP ≤ 5	49.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of CID 157170281?

The IUPAC name of CID 157170281 (CID 157170281) is not available.

What is the SMILES notation for CID 157170281?

The canonical SMILES for CID 157170281 is [Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3c1c1ccccc1n3-c1ccccc1)[Si]2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3c1oc1ccccc13)[Si]2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3c1sc1ccccc13)[Si]2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3oc4ccccc4c13)[Si]2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1c(ccc3sc4ccccc4c13)[Si]2(c1ccccc1)c1ccccc1.

What is the InChIKey of CID 157170281?

The InChIKey is QQJWDRYODSVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5OSi.2C50H30N4O2Si.2C50H30N4OSSi.5Pt/c1-4-16-38(17-5-1)60-48-25-13-11-23-45(48)54-49(60)30-32-52-55(54)61(53-26-14-15-33-57-53)50-37-40(28-31-51(50)63(52,41-18-6-2-7-19-41)42-20-8-3-9-21-42)62-39-27-29-43-44-22-10-12-24-47(44)59-35-34-58-56(59)46(43)36-39;1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)45-26-23-34(55-33-22-24-37-38-17-7-9-19-41(38)53-30-29-52-50(53)40(37)31-33)32-42(45)54(47-21-11-12-28-51-47)49-46(57)27-25-44-48(49)39-18-8-10-20-43(39)56-44;1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)45-26-23-34(55-33-22-24-37-38-17-7-9-19-42(38)53-30-29-52-50(53)41(37)31-33)32-43(45)54(47-21-11-12-28-51-47)48-46(57)27-25-40-39-18-8-10-20-44(39)56-49(40)48;1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)45-26-23-34(55-33-22-24-37-38-17-7-9-19-41(38)53-30-29-52-50(53)40(37)31-33)32-42(45)54(47-21-11-12-28-51-47)49-46(57)27-25-44-48(49)39-18-8-10-20-43(39)56-44;1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)45-26-23-34(55-33-22-24-37-38-17-7-9-19-42(38)53-30-29-52-50(53)41(37)31-33)32-43(45)54(47-21-11-12-28-51-47)48-46(57)27-25-40-39-18-8-10-20-44(39)56-49(40)48;;;;;/h1-35H;4*1-30H;;;;;/q5*-2;5*+2.

What are the key properties of CID 157170281?

CID 157170281 has a molecular weight of 4817.15 g/mol, XLogP of 49.56, 26 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157170281 is sourced from PubChem (CID 157170281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).