CID 163732158

C295H196N24O6Pt6 — CID 163732158

IUPAC—
SMILESCC(C)(C)c1cccnc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5ccccc5)c(-c5ccccc5)nc43)ccc2c2ccccc21.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3ccccc32)c1.CC(C)C1(C(C)C)c2cccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3cccc1c32.CC1(C)c2cccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3cccc1c32.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccc4c2n3-c2ncccc2C4(c2ccccc2)c2ccccc2)ccc2c1c1nc(-c3ccccc3)c(-c3ccccc3)n1c1ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nc(-c3ccccc3)c(-c3ccccc3)n1c1ccccc21
InChIInChI=1S/C57H34N4O.C51H38N4O.2C48H34N4O.C47H30N4O.C44H26N4O.6Pt/c1-5-17-37(18-6-1)52-53(38-19-7-2-8-20-38)60-50-29-14-13-25-44(50)43-32-30-41(35-47(43)55(60)59-52)62-42-31-33-45-46-26-15-27-48-54(46)61(51(45)36-42)56-49(28-16-34-58-56)57(48,39-21-9-3-10-22-39)40-23-11-4-12-24-40;1-31(2)51(32(3)4)42-21-13-20-40-39-27-25-36(30-45(39)55(48(40)42)50-43(51)22-14-28-52-50)56-35-24-26-37-38-19-11-12-23-44(38)54-47(34-17-9-6-10-18-34)46(33-15-7-5-8-16-33)53-49(54)41(37)29-35;1-48(2,3)40-21-14-28-49-47(40)51-41-22-12-11-20-37(41)38-27-25-34(30-43(38)51)53-33-24-26-35-36-19-10-13-23-42(36)52-45(32-17-8-5-9-18-32)44(31-15-6-4-7-16-31)50-46(52)39(35)29-33;1-48(2,3)33-26-27-49-44(28-33)51-41-20-12-11-19-38(41)39-25-23-35(30-43(39)51)53-34-22-24-36-37-18-10-13-21-42(37)52-46(32-16-8-5-9-17-32)45(31-14-6-4-7-15-31)50-47(52)40(36)29-34;1-47(2)38-19-11-18-36-35-25-23-32(28-41(35)51(44(36)38)46-39(47)20-12-26-48-46)52-31-22-24-33-34-17-9-10-21-40(34)50-43(30-15-7-4-8-16-30)42(29-13-5-3-6-14-29)49-45(50)37(33)27-31;1-3-13-29(14-4-1)42-43(30-15-5-2-6-16-30)48-39-20-10-7-17-34(39)33-24-22-31(27-37(33)44(48)46-42)49-32-23-25-36-35-18-8-9-19-38(35)47(40(36)28-32)41-21-11-12-26-45-41;;;;;;/h1-34H;5-28,31-32H,1-4H3;2*4-28H,1-3H3;3-26H,1-2H3;1-26H;;;;;;/q6*-2;6*+2
InChIKeyUTZVWLCFWUJNBS-UHFFFAOYSA-N
MW5343.44 g/mol
LogP72.98
Rot. Bonds31

About CID 163732158

CID 163732158 (PubChem CID 163732158) has the molecular formula C295H196N24O6Pt6 and a molecular weight of 5343.44 g/mol.

Molecular Properties

Compound NameCID 163732158
PubChem CID163732158
Molecular FormulaC295H196N24O6Pt6
Molecular Weight5343.44 g/mol
Exact Mass5339.37
IUPAC Name—
SMILESCC(C)(C)c1cccnc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5ccccc5)c(-c5ccccc5)nc43)ccc2c2ccccc21.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3ccccc32)c1.CC(C)C1(C(C)C)c2cccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3cccc1c32.CC1(C)c2cccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3cccc1c32.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccc4c2n3-c2ncccc2C4(c2ccccc2)c2ccccc2)ccc2c1c1nc(-c3ccccc3)c(-c3ccccc3)n1c1ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nc(-c3ccccc3)c(-c3ccccc3)n1c1ccccc21
InChIInChI=1S/C57H34N4O.C51H38N4O.2C48H34N4O.C47H30N4O.C44H26N4O.6Pt/c1-5-17-37(18-6-1)52-53(38-19-7-2-8-20-38)60-50-29-14-13-25-44(50)43-32-30-41(35-47(43)55(60)59-52)62-42-31-33-45-46-26-15-27-48-54(46)61(51(45)36-42)56-49(28-16-34-58-56)57(48,39-21-9-3-10-22-39)40-23-11-4-12-24-40;1-31(2)51(32(3)4)42-21-13-20-40-39-27-25-36(30-45(39)55(48(40)42)50-43(51)22-14-28-52-50)56-35-24-26-37-38-19-11-12-23-44(38)54-47(34-17-9-6-10-18-34)46(33-15-7-5-8-16-33)53-49(54)41(37)29-35;1-48(2,3)40-21-14-28-49-47(40)51-41-22-12-11-20-37(41)38-27-25-34(30-43(38)51)53-33-24-26-35-36-19-10-13-23-42(36)52-45(32-17-8-5-9-18-32)44(31-15-6-4-7-16-31)50-46(52)39(35)29-33;1-48(2,3)33-26-27-49-44(28-33)51-41-20-12-11-19-38(41)39-25-23-35(30-43(39)51)53-34-22-24-36-37-18-10-13-21-42(37)52-46(32-16-8-5-9-17-32)45(31-14-6-4-7-15-31)50-47(52)40(36)29-34;1-47(2)38-19-11-18-36-35-25-23-32(28-41(35)51(44(36)38)46-39(47)20-12-26-48-46)52-31-22-24-33-34-17-9-10-21-40(34)50-43(30-15-7-4-8-16-30)42(29-13-5-3-6-14-29)49-45(50)37(33)27-31;1-3-13-29(14-4-1)42-43(30-15-5-2-6-16-30)48-39-20-10-7-17-34(39)33-24-22-31(27-37(33)44(48)46-42)49-32-23-25-36-35-18-8-9-19-38(35)47(40(36)28-32)41-21-11-12-26-45-41;;;;;;/h1-34H;5-28,31-32H,1-4H3;2*4-28H,1-3H3;3-26H,1-2H3;1-26H;;;;;;/q6*-2;6*+2
InChIKeyUTZVWLCFWUJNBS-UHFFFAOYSA-N
XLogP72.98
TPSA266.10 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005343.44
LogP ≤ 572.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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Frequently Asked Questions

What is the IUPAC name of CID 163732158?
The IUPAC name of CID 163732158 (CID 163732158) is not available.
What is the SMILES notation for CID 163732158?
The canonical SMILES for CID 163732158 is CC(C)(C)c1cccnc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5ccccc5)c(-c5ccccc5)nc43)ccc2c2ccccc21.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3ccccc32)c1.CC(C)C1(C(C)C)c2cccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3cccc1c32.CC1(C)c2cccnc2-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3cccc1c32.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccc4c2n3-c2ncccc2C4(c2ccccc2)c2ccccc2)ccc2c1c1nc(-c3ccccc3)c(-c3ccccc3)n1c1ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nc(-c3ccccc3)c(-c3ccccc3)n1c1ccccc21.
What is the InChIKey of CID 163732158?
The InChIKey is UTZVWLCFWUJNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O.C51H38N4O.2C48H34N4O.C47H30N4O.C44H26N4O.6Pt/c1-5-17-37(18-6-1)52-53(38-19-7-2-8-20-38)60-50-29-14-13-25-44(50)43-32-30-41(35-47(43)55(60)59-52)62-42-31-33-45-46-26-15-27-48-54(46)61(51(45)36-42)56-49(28-16-34-58-56)57(48,39-21-9-3-10-22-39)40-23-11-4-12-24-40;1-31(2)51(32(3)4)42-21-13-20-40-39-27-25-36(30-45(39)55(48(40)42)50-43(51)22-14-28-52-50)56-35-24-26-37-38-19-11-12-23-44(38)54-47(34-17-9-6-10-18-34)46(33-15-7-5-8-16-33)53-49(54)41(37)29-35;1-48(2,3)40-21-14-28-49-47(40)51-41-22-12-11-20-37(41)38-27-25-34(30-43(38)51)53-33-24-26-35-36-19-10-13-23-42(36)52-45(32-17-8-5-9-18-32)44(31-15-6-4-7-16-31)50-46(52)39(35)29-33;1-48(2,3)33-26-27-49-44(28-33)51-41-20-12-11-19-38(41)39-25-23-35(30-43(39)51)53-34-22-24-36-37-18-10-13-21-42(37)52-46(32-16-8-5-9-17-32)45(31-14-6-4-7-15-31)50-47(52)40(36)29-34;1-47(2)38-19-11-18-36-35-25-23-32(28-41(35)51(44(36)38)46-39(47)20-12-26-48-46)52-31-22-24-33-34-17-9-10-21-40(34)50-43(30-15-7-4-8-16-30)42(29-13-5-3-6-14-29)49-45(50)37(33)27-31;1-3-13-29(14-4-1)42-43(30-15-5-2-6-16-30)48-39-20-10-7-17-34(39)33-24-22-31(27-37(33)44(48)46-42)49-32-23-25-36-35-18-8-9-19-38(35)47(40(36)28-32)41-21-11-12-26-45-41;;;;;;/h1-34H;5-28,31-32H,1-4H3;2*4-28H,1-3H3;3-26H,1-2H3;1-26H;;;;;;/q6*-2;6*+2.
What are the key properties of CID 163732158?
CID 163732158 has a molecular weight of 5343.44 g/mol, XLogP of 72.98, 31 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163732158 is sourced from PubChem (CID 163732158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).