CID 160683681

C218H216N24O2Pt4 — CID 160683681

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-c1c(CCc2nc3c4[c-]ccnc4c4c(C5CCCCC5)cccc4n3c2-c2c(C(C)C)cccc2C(C)C)nc2c3[c-]ccnc3c3c(C4CCCCC4)cccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(nc4)c4c(C6CCCCC6)cccc4n4c(-c6c(C(C)C)cccc6C(C)C)cnc54)cnc3c3c(C4CCCCC4)cccc3n12.Cc1cn2c3cccc(C4CCCCC4)c3c3ncc(Oc4[c-]c5c(nc4)c4c(C6CCCCC6)cccc4n4cc(C)nc54)[c-]c3c2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccnc2c1c1nc(CCc3nc4c5[c-]ccnc5c5c(C6CCCCC6)ccc6c5n4c3CC6)c3n1c1c(ccc(C4CCCCC4)c21)CC3
InChIInChI=1S/C66H70N6.C64H66N6O.C46H42N6.C42H38N6O.4Pt/c1-39(2)45-25-15-26-46(40(3)4)57(45)63-53(69-65-51-31-19-37-67-61(51)59-49(43-21-11-9-12-22-43)29-17-33-55(59)71(63)65)35-36-54-64(58-47(41(5)6)27-16-28-48(58)42(7)8)72-56-34-18-30-50(44-23-13-10-14-24-44)60(56)62-52(66(72)70-54)32-20-38-68-62;1-37(2)45-23-15-24-46(38(3)4)57(45)55-35-67-63-51-31-43(33-65-61(51)59-49(41-19-11-9-12-20-41)27-17-29-53(59)69(55)63)71-44-32-52-62(66-34-44)60-50(42-21-13-10-14-22-42)28-18-30-54(60)70-56(36-68-64(52)70)58-47(39(5)6)25-16-26-48(58)40(7)8;1-3-9-27(10-4-1)31-19-15-29-17-23-37-35(49-45-33-13-7-25-47-41(33)39(31)43(29)51(37)45)21-22-36-38-24-18-30-16-20-32(28-11-5-2-6-12-28)40-42-34(14-8-26-48-42)46(50-36)52(38)44(30)40;1-25-23-47-35-17-9-15-31(27-11-5-3-6-12-27)37(35)39-33(41(47)45-25)19-29(21-43-39)49-30-20-34-40(44-22-30)38-32(28-13-7-4-8-14-28)16-10-18-36(38)48-24-26(2)46-42(34)48;;;;/h15-20,25-30,33-34,37-44H,9-14,21-24,35-36H2,1-8H3;15-18,23-30,33-42H,9-14,19-22H2,1-8H3;7-8,15-16,19-20,25-28H,1-6,9-12,17-18,21-24H2;9-10,15-18,21-24,27-28H,3-8,11-14H2,1-2H3;;;;/q4*-2;4*+2
InChIKeyRVZKUAVVSWLXLI-UHFFFAOYSA-N
MW3984.60 g/mol
LogP55.94
Rot. Bonds30

About CID 160683681

CID 160683681 (PubChem CID 160683681) has the molecular formula C218H216N24O2Pt4 and a molecular weight of 3984.60 g/mol.

Molecular Properties

Compound NameCID 160683681
PubChem CID160683681
Molecular FormulaC218H216N24O2Pt4
Molecular Weight3984.60 g/mol
Exact Mass3981.61
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-c1c(CCc2nc3c4[c-]ccnc4c4c(C5CCCCC5)cccc4n3c2-c2c(C(C)C)cccc2C(C)C)nc2c3[c-]ccnc3c3c(C4CCCCC4)cccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(nc4)c4c(C6CCCCC6)cccc4n4c(-c6c(C(C)C)cccc6C(C)C)cnc54)cnc3c3c(C4CCCCC4)cccc3n12.Cc1cn2c3cccc(C4CCCCC4)c3c3ncc(Oc4[c-]c5c(nc4)c4c(C6CCCCC6)cccc4n4cc(C)nc54)[c-]c3c2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccnc2c1c1nc(CCc3nc4c5[c-]ccnc5c5c(C6CCCCC6)ccc6c5n4c3CC6)c3n1c1c(ccc(C4CCCCC4)c21)CC3
InChIInChI=1S/C66H70N6.C64H66N6O.C46H42N6.C42H38N6O.4Pt/c1-39(2)45-25-15-26-46(40(3)4)57(45)63-53(69-65-51-31-19-37-67-61(51)59-49(43-21-11-9-12-22-43)29-17-33-55(59)71(63)65)35-36-54-64(58-47(41(5)6)27-16-28-48(58)42(7)8)72-56-34-18-30-50(44-23-13-10-14-24-44)60(56)62-52(66(72)70-54)32-20-38-68-62;1-37(2)45-23-15-24-46(38(3)4)57(45)55-35-67-63-51-31-43(33-65-61(51)59-49(41-19-11-9-12-20-41)27-17-29-53(59)69(55)63)71-44-32-52-62(66-34-44)60-50(42-21-13-10-14-22-42)28-18-30-54(60)70-56(36-68-64(52)70)58-47(39(5)6)25-16-26-48(58)40(7)8;1-3-9-27(10-4-1)31-19-15-29-17-23-37-35(49-45-33-13-7-25-47-41(33)39(31)43(29)51(37)45)21-22-36-38-24-18-30-16-20-32(28-11-5-2-6-12-28)40-42-34(14-8-26-48-42)46(50-36)52(38)44(30)40;1-25-23-47-35-17-9-15-31(27-11-5-3-6-12-27)37(35)39-33(41(47)45-25)19-29(21-43-39)49-30-20-34-40(44-22-30)38-32(28-13-7-4-8-14-28)16-10-18-36(38)48-24-26(2)46-42(34)48;;;;/h15-20,25-30,33-34,37-44H,9-14,21-24,35-36H2,1-8H3;15-18,23-30,33-42H,9-14,19-22H2,1-8H3;7-8,15-16,19-20,25-28H,1-6,9-12,17-18,21-24H2;9-10,15-18,21-24,27-28H,3-8,11-14H2,1-2H3;;;;/q4*-2;4*+2
InChIKeyRVZKUAVVSWLXLI-UHFFFAOYSA-N
XLogP55.94
TPSA259.98 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003984.60
LogP ≤ 555.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze CID 160683681 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 160683681?
The IUPAC name of CID 160683681 (CID 160683681) is not available.
What is the SMILES notation for CID 160683681?
The canonical SMILES for CID 160683681 is CC(C)c1cccc(C(C)C)c1-c1c(CCc2nc3c4[c-]ccnc4c4c(C5CCCCC5)cccc4n3c2-c2c(C(C)C)cccc2C(C)C)nc2c3[c-]ccnc3c3c(C4CCCCC4)cccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(nc4)c4c(C6CCCCC6)cccc4n4c(-c6c(C(C)C)cccc6C(C)C)cnc54)cnc3c3c(C4CCCCC4)cccc3n12.Cc1cn2c3cccc(C4CCCCC4)c3c3ncc(Oc4[c-]c5c(nc4)c4c(C6CCCCC6)cccc4n4cc(C)nc54)[c-]c3c2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccnc2c1c1nc(CCc3nc4c5[c-]ccnc5c5c(C6CCCCC6)ccc6c5n4c3CC6)c3n1c1c(ccc(C4CCCCC4)c21)CC3.
What is the InChIKey of CID 160683681?
The InChIKey is RVZKUAVVSWLXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H70N6.C64H66N6O.C46H42N6.C42H38N6O.4Pt/c1-39(2)45-25-15-26-46(40(3)4)57(45)63-53(69-65-51-31-19-37-67-61(51)59-49(43-21-11-9-12-22-43)29-17-33-55(59)71(63)65)35-36-54-64(58-47(41(5)6)27-16-28-48(58)42(7)8)72-56-34-18-30-50(44-23-13-10-14-24-44)60(56)62-52(66(72)70-54)32-20-38-68-62;1-37(2)45-23-15-24-46(38(3)4)57(45)55-35-67-63-51-31-43(33-65-61(51)59-49(41-19-11-9-12-20-41)27-17-29-53(59)69(55)63)71-44-32-52-62(66-34-44)60-50(42-21-13-10-14-22-42)28-18-30-54(60)70-56(36-68-64(52)70)58-47(39(5)6)25-16-26-48(58)40(7)8;1-3-9-27(10-4-1)31-19-15-29-17-23-37-35(49-45-33-13-7-25-47-41(33)39(31)43(29)51(37)45)21-22-36-38-24-18-30-16-20-32(28-11-5-2-6-12-28)40-42-34(14-8-26-48-42)46(50-36)52(38)44(30)40;1-25-23-47-35-17-9-15-31(27-11-5-3-6-12-27)37(35)39-33(41(47)45-25)19-29(21-43-39)49-30-20-34-40(44-22-30)38-32(28-13-7-4-8-14-28)16-10-18-36(38)48-24-26(2)46-42(34)48;;;;/h15-20,25-30,33-34,37-44H,9-14,21-24,35-36H2,1-8H3;15-18,23-30,33-42H,9-14,19-22H2,1-8H3;7-8,15-16,19-20,25-28H,1-6,9-12,17-18,21-24H2;9-10,15-18,21-24,27-28H,3-8,11-14H2,1-2H3;;;;/q4*-2;4*+2.
What are the key properties of CID 160683681?
CID 160683681 has a molecular weight of 3984.60 g/mol, XLogP of 55.94, 30 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160683681 is sourced from PubChem (CID 160683681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).