CID 157090392

C246H189N20O10Pt5-15 — CID 157090392

IUPAC—
SMILESCC(C)(C)c1cc2[c-]c(c1)N1[CH-]N(c3ccccc3Oc3cnc(cc3C(C)(C)c3ccccc3)-n3c4[c-]c(ccc4c4ccccc43)O2)c2ccccc21.CC(C)(C)c1cc2ncc1Oc1ccccc1N1[CH-]N(c3[c-]c(cc(C(C)(C)c4ccccc4)c3)Oc3[c-]c4c(cc3)c3ccccc3n4-2)c2ccccc21.CC(C)(C)c1ccc2c(c1)c1ccc3[c-]c1n2-c1cc(C(C)(C)c2ccccc2)c(cn1)Oc1ccccc1N1[CH-]N(c2[c-]c(ccc2)O3)c2ccccc21.CC(C)(c1ccccc1)c1cc2[c-]c(c1)N1[CH-]N(c3ccccc3Oc3cnc(cc3C(C)(C)c3ccccc3)-n3c4[c-]c(ccc4c4ccccc43)O2)c2ccccc21.CC(C)(c1ccccc1)c1cc2ncc1-o-c1ccccc1-n1-[cH-]-n(-c3[c-]c(ccc3)-o-c3[c-]c4c(cc3)c3ccccc3n4-2)-c2ccccc2-1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C54H41N4O2.3C49H39N4O2.C45H31N4O2.5Pt/c1-53(2,36-17-7-5-8-18-36)38-29-39-31-41(30-38)59-40-27-28-43-42-21-11-12-22-45(42)58(49(43)32-40)52-33-44(54(3,4)37-19-9-6-10-20-37)51(34-55-52)60-50-26-16-15-25-48(50)57-35-56(39)46-23-13-14-24-47(46)57;1-48(2,3)39-29-47-50-30-46(39)55-45-22-14-13-21-43(45)52-31-51(41-19-11-12-20-42(41)52)34-25-33(49(4,5)32-15-7-6-8-16-32)26-36(27-34)54-35-23-24-38-37-17-9-10-18-40(37)53(47)44(38)28-35;1-48(2,3)33-25-34-27-36(26-33)54-35-23-24-38-37-17-9-10-18-40(37)53(44(38)28-35)47-29-39(49(4,5)32-15-7-6-8-16-32)46(30-50-47)55-45-22-14-13-21-43(45)52-31-51(34)41-19-11-12-20-42(41)52;1-48(2,3)33-22-25-40-38(26-33)37-24-23-36-28-44(37)53(40)47-29-39(49(4,5)32-14-7-6-8-15-32)46(30-50-47)55-45-21-12-11-20-43(45)52-31-51(41-18-9-10-19-42(41)52)34-16-13-17-35(27-34)54-36;1-45(2,30-13-4-3-5-14-30)36-27-44-46-28-43(36)51-42-22-11-10-21-40(42)48-29-47(38-19-8-9-20-39(38)48)31-15-12-16-32(25-31)50-33-23-24-35-34-17-6-7-18-37(34)49(44)41(35)26-33;;;;;/h5-30,33-35H,1-4H3;3*6-26,29-31H,1-5H3;3-24,27-29H,1-2H3;;;;;/q5*-3;;;;;
InChIKeyFFZMYNGONRAEAL-UHFFFAOYSA-N
MW4560.74 g/mol
LogP62.88
Rot. Bonds12

About CID 157090392

CID 157090392 (PubChem CID 157090392) has the molecular formula C246H189N20O10Pt5-15 and a molecular weight of 4560.74 g/mol.

Molecular Properties

Compound NameCID 157090392
PubChem CID157090392
Molecular FormulaC246H189N20O10Pt5-15
Molecular Weight4560.74 g/mol
Exact Mass4557.32
IUPAC Name—
SMILESCC(C)(C)c1cc2[c-]c(c1)N1[CH-]N(c3ccccc3Oc3cnc(cc3C(C)(C)c3ccccc3)-n3c4[c-]c(ccc4c4ccccc43)O2)c2ccccc21.CC(C)(C)c1cc2ncc1Oc1ccccc1N1[CH-]N(c3[c-]c(cc(C(C)(C)c4ccccc4)c3)Oc3[c-]c4c(cc3)c3ccccc3n4-2)c2ccccc21.CC(C)(C)c1ccc2c(c1)c1ccc3[c-]c1n2-c1cc(C(C)(C)c2ccccc2)c(cn1)Oc1ccccc1N1[CH-]N(c2[c-]c(ccc2)O3)c2ccccc21.CC(C)(c1ccccc1)c1cc2[c-]c(c1)N1[CH-]N(c3ccccc3Oc3cnc(cc3C(C)(C)c3ccccc3)-n3c4[c-]c(ccc4c4ccccc43)O2)c2ccccc21.CC(C)(c1ccccc1)c1cc2ncc1-o-c1ccccc1-n1-[cH-]-n(-c3[c-]c(ccc3)-o-c3[c-]c4c(cc3)c3ccccc3n4-2)-c2ccccc2-1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C54H41N4O2.3C49H39N4O2.C45H31N4O2.5Pt/c1-53(2,36-17-7-5-8-18-36)38-29-39-31-41(30-38)59-40-27-28-43-42-21-11-12-22-45(42)58(49(43)32-40)52-33-44(54(3,4)37-19-9-6-10-20-37)51(34-55-52)60-50-26-16-15-25-48(50)57-35-56(39)46-23-13-14-24-47(46)57;1-48(2,3)39-29-47-50-30-46(39)55-45-22-14-13-21-43(45)52-31-51(41-19-11-12-20-42(41)52)34-25-33(49(4,5)32-15-7-6-8-16-32)26-36(27-34)54-35-23-24-38-37-17-9-10-18-40(37)53(47)44(38)28-35;1-48(2,3)33-25-34-27-36(26-33)54-35-23-24-38-37-17-9-10-18-40(37)53(44(38)28-35)47-29-39(49(4,5)32-15-7-6-8-16-32)46(30-50-47)55-45-22-14-13-21-43(45)52-31-51(34)41-19-11-12-20-42(41)52;1-48(2,3)33-22-25-40-38(26-33)37-24-23-36-28-44(37)53(40)47-29-39(49(4,5)32-14-7-6-8-15-32)46(30-50-47)55-45-21-12-11-20-43(45)52-31-51(41-18-9-10-19-42(41)52)34-16-13-17-35(27-34)54-36;1-45(2,30-13-4-3-5-14-30)36-27-44-46-28-43(36)51-42-22-11-10-21-40(42)48-29-47(38-19-8-9-20-39(38)48)31-15-12-16-32(25-31)50-33-23-24-35-34-17-6-7-18-37(34)49(44)41(35)26-33;;;;;/h5-30,33-35H,1-4H3;3*6-26,29-31H,1-5H3;3-24,27-29H,1-2H3;;;;;/q5*-3;;;;;
InChIKeyFFZMYNGONRAEAL-UHFFFAOYSA-N
XLogP62.88
TPSA213.80 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms281
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004560.74
LogP ≤ 562.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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Frequently Asked Questions

What is the IUPAC name of CID 157090392?
The IUPAC name of CID 157090392 (CID 157090392) is not available.
What is the SMILES notation for CID 157090392?
The canonical SMILES for CID 157090392 is CC(C)(C)c1cc2[c-]c(c1)N1[CH-]N(c3ccccc3Oc3cnc(cc3C(C)(C)c3ccccc3)-n3c4[c-]c(ccc4c4ccccc43)O2)c2ccccc21.CC(C)(C)c1cc2ncc1Oc1ccccc1N1[CH-]N(c3[c-]c(cc(C(C)(C)c4ccccc4)c3)Oc3[c-]c4c(cc3)c3ccccc3n4-2)c2ccccc21.CC(C)(C)c1ccc2c(c1)c1ccc3[c-]c1n2-c1cc(C(C)(C)c2ccccc2)c(cn1)Oc1ccccc1N1[CH-]N(c2[c-]c(ccc2)O3)c2ccccc21.CC(C)(c1ccccc1)c1cc2[c-]c(c1)N1[CH-]N(c3ccccc3Oc3cnc(cc3C(C)(C)c3ccccc3)-n3c4[c-]c(ccc4c4ccccc43)O2)c2ccccc21.CC(C)(c1ccccc1)c1cc2ncc1-o-c1ccccc1-n1-[cH-]-n(-c3[c-]c(ccc3)-o-c3[c-]c4c(cc3)c3ccccc3n4-2)-c2ccccc2-1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of CID 157090392?
The InChIKey is FFZMYNGONRAEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N4O2.3C49H39N4O2.C45H31N4O2.5Pt/c1-53(2,36-17-7-5-8-18-36)38-29-39-31-41(30-38)59-40-27-28-43-42-21-11-12-22-45(42)58(49(43)32-40)52-33-44(54(3,4)37-19-9-6-10-20-37)51(34-55-52)60-50-26-16-15-25-48(50)57-35-56(39)46-23-13-14-24-47(46)57;1-48(2,3)39-29-47-50-30-46(39)55-45-22-14-13-21-43(45)52-31-51(41-19-11-12-20-42(41)52)34-25-33(49(4,5)32-15-7-6-8-16-32)26-36(27-34)54-35-23-24-38-37-17-9-10-18-40(37)53(47)44(38)28-35;1-48(2,3)33-25-34-27-36(26-33)54-35-23-24-38-37-17-9-10-18-40(37)53(44(38)28-35)47-29-39(49(4,5)32-15-7-6-8-16-32)46(30-50-47)55-45-22-14-13-21-43(45)52-31-51(34)41-19-11-12-20-42(41)52;1-48(2,3)33-22-25-40-38(26-33)37-24-23-36-28-44(37)53(40)47-29-39(49(4,5)32-14-7-6-8-15-32)46(30-50-47)55-45-21-12-11-20-43(45)52-31-51(41-18-9-10-19-42(41)52)34-16-13-17-35(27-34)54-36;1-45(2,30-13-4-3-5-14-30)36-27-44-46-28-43(36)51-42-22-11-10-21-40(42)48-29-47(38-19-8-9-20-39(38)48)31-15-12-16-32(25-31)50-33-23-24-35-34-17-6-7-18-37(34)49(44)41(35)26-33;;;;;/h5-30,33-35H,1-4H3;3*6-26,29-31H,1-5H3;3-24,27-29H,1-2H3;;;;;/q5*-3;;;;;.
What are the key properties of CID 157090392?
CID 157090392 has a molecular weight of 4560.74 g/mol, XLogP of 62.88, 12 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157090392 is sourced from PubChem (CID 157090392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).