CID 159650736

C235H146Ge4N16O4Pt4-12 — CID 159650736

IUPAC—
SMILESCN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3[Ge]3(c4ccccc4-c4ccccc43)c3cccc1c32.[Pt].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc(c31)[Ge]21c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cccc(c31)[Ge]21c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3ccccc3)c3cccc(c31)[Ge]21c2ccccc2-c2ccccc21
InChIInChI=1S/C84H53GeN4O.C60H37GeN4O.C48H29GeN4O.C43H27GeN4O.4Pt/c1-5-23-56(24-6-1)60-47-61(57-25-7-2-8-26-57)50-64(49-60)68-34-21-35-69(65-51-62(58-27-9-3-10-28-58)48-63(52-65)59-29-11-4-12-30-59)83(68)87-55-88-81-54-67(90-66-42-44-73-72-33-15-18-39-78(72)89(80(73)53-66)82-41-19-20-46-86-82)43-45-76(81)85(77-38-22-40-79(87)84(77)88)74-36-16-13-31-70(74)71-32-14-17-37-75(71)85;1-3-17-40(18-4-1)44-24-15-25-45(41-19-5-2-6-20-41)59(44)63-39-64-57-38-43(66-42-32-34-49-48-23-9-12-29-54(48)65(56(49)37-42)58-31-13-14-36-62-58)33-35-52(57)61(53-28-16-30-55(63)60(53)64)50-26-10-7-21-46(50)47-22-8-11-27-51(47)61;1-2-13-32(14-3-1)51-31-52-46-30-34(54-33-24-26-38-37-17-6-9-21-43(37)53(45(38)29-33)47-23-10-11-28-50-47)25-27-41(46)49(42-20-12-22-44(51)48(42)52)39-18-7-4-15-35(39)36-16-5-8-19-40(36)49;1-46-27-47-41-26-29(49-28-20-22-33-32-13-4-7-17-38(32)48(40(33)25-28)42-19-8-9-24-45-42)21-23-36(41)44(37-16-10-18-39(46)43(37)47)34-14-5-2-11-30(34)31-12-3-6-15-35(31)44;;;;/h1-52,55H;1-36,39H;1-28,31H;2-24,27H,1H3;;;;/q4*-3;;;;
InChIKeyFWPSCGREDHNEHM-UHFFFAOYSA-N
MW4328.61 g/mol
LogP46.23
Rot. Bonds23

About CID 159650736

CID 159650736 (PubChem CID 159650736) has the molecular formula C235H146Ge4N16O4Pt4-12 and a molecular weight of 4328.61 g/mol.

Molecular Properties

Compound NameCID 159650736
PubChem CID159650736
Molecular FormulaC235H146Ge4N16O4Pt4-12
Molecular Weight4328.61 g/mol
Exact Mass4330.72
IUPAC Name—
SMILESCN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3[Ge]3(c4ccccc4-c4ccccc43)c3cccc1c32.[Pt].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc(c31)[Ge]21c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cccc(c31)[Ge]21c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3ccccc3)c3cccc(c31)[Ge]21c2ccccc2-c2ccccc21
InChIInChI=1S/C84H53GeN4O.C60H37GeN4O.C48H29GeN4O.C43H27GeN4O.4Pt/c1-5-23-56(24-6-1)60-47-61(57-25-7-2-8-26-57)50-64(49-60)68-34-21-35-69(65-51-62(58-27-9-3-10-28-58)48-63(52-65)59-29-11-4-12-30-59)83(68)87-55-88-81-54-67(90-66-42-44-73-72-33-15-18-39-78(72)89(80(73)53-66)82-41-19-20-46-86-82)43-45-76(81)85(77-38-22-40-79(87)84(77)88)74-36-16-13-31-70(74)71-32-14-17-37-75(71)85;1-3-17-40(18-4-1)44-24-15-25-45(41-19-5-2-6-20-41)59(44)63-39-64-57-38-43(66-42-32-34-49-48-23-9-12-29-54(48)65(56(49)37-42)58-31-13-14-36-62-58)33-35-52(57)61(53-28-16-30-55(63)60(53)64)50-26-10-7-21-46(50)47-22-8-11-27-51(47)61;1-2-13-32(14-3-1)51-31-52-46-30-34(54-33-24-26-38-37-17-6-9-21-43(37)53(45(38)29-33)47-23-10-11-28-50-47)25-27-41(46)49(42-20-12-22-44(51)48(42)52)39-18-7-4-15-35(39)36-16-5-8-19-40(36)49;1-46-27-47-41-26-29(49-28-20-22-33-32-13-4-7-17-38(32)48(40(33)25-28)42-19-8-9-24-45-42)21-23-36(41)44(37-16-10-18-39(46)43(37)47)34-14-5-2-11-30(34)31-12-3-6-15-35(31)44;;;;/h1-52,55H;1-36,39H;1-28,31H;2-24,27H,1H3;;;;/q4*-3;;;;
InChIKeyFWPSCGREDHNEHM-UHFFFAOYSA-N
XLogP46.23
TPSA134.12 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004328.61
LogP ≤ 546.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159650736?
The IUPAC name of CID 159650736 (CID 159650736) is not available.
What is the SMILES notation for CID 159650736?
The canonical SMILES for CID 159650736 is CN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3[Ge]3(c4ccccc4-c4ccccc43)c3cccc1c32.[Pt].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc(c31)[Ge]21c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cccc(c31)[Ge]21c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3ccccc3)c3cccc(c31)[Ge]21c2ccccc2-c2ccccc21.
What is the InChIKey of CID 159650736?
The InChIKey is FWPSCGREDHNEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H53GeN4O.C60H37GeN4O.C48H29GeN4O.C43H27GeN4O.4Pt/c1-5-23-56(24-6-1)60-47-61(57-25-7-2-8-26-57)50-64(49-60)68-34-21-35-69(65-51-62(58-27-9-3-10-28-58)48-63(52-65)59-29-11-4-12-30-59)83(68)87-55-88-81-54-67(90-66-42-44-73-72-33-15-18-39-78(72)89(80(73)53-66)82-41-19-20-46-86-82)43-45-76(81)85(77-38-22-40-79(87)84(77)88)74-36-16-13-31-70(74)71-32-14-17-37-75(71)85;1-3-17-40(18-4-1)44-24-15-25-45(41-19-5-2-6-20-41)59(44)63-39-64-57-38-43(66-42-32-34-49-48-23-9-12-29-54(48)65(56(49)37-42)58-31-13-14-36-62-58)33-35-52(57)61(53-28-16-30-55(63)60(53)64)50-26-10-7-21-46(50)47-22-8-11-27-51(47)61;1-2-13-32(14-3-1)51-31-52-46-30-34(54-33-24-26-38-37-17-6-9-21-43(37)53(45(38)29-33)47-23-10-11-28-50-47)25-27-41(46)49(42-20-12-22-44(51)48(42)52)39-18-7-4-15-35(39)36-16-5-8-19-40(36)49;1-46-27-47-41-26-29(49-28-20-22-33-32-13-4-7-17-38(32)48(40(33)25-28)42-19-8-9-24-45-42)21-23-36(41)44(37-16-10-18-39(46)43(37)47)34-14-5-2-11-30(34)31-12-3-6-15-35(31)44;;;;/h1-52,55H;1-36,39H;1-28,31H;2-24,27H,1H3;;;;/q4*-3;;;;.
What are the key properties of CID 159650736?
CID 159650736 has a molecular weight of 4328.61 g/mol, XLogP of 46.23, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159650736 is sourced from PubChem (CID 159650736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).