CID 158354375

C171H134F2N10Pt5 — CID 158354375

IUPAC—
SMILESCC(C)(C)c1cc2nc(c1)C(C)(C)c1cc(C(C)(C)C)cc(n1)-c1[c-]c(ccc1)C(C)(C)c1[c-]c-2ccc1.CC1(C)c2[c-]c(c3ccccc3c2)-c2cc3ccccc3c(n2)C(C)(C)c2nc(cc3ccccc23)-c2[c-]c1cc1ccccc21.CC1(C)c2[c-]c(ccc2)-c2ccc3ccc4ccc5ccc(nc5c4c3n2)-c2[c-]c1ccc2.CC1(C)c2cccc(n2)-c2[c-]c(c(F)cc2)C(C)(C)c2[c-]c(ccc2F)-c2cccc1n2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c2cccc1-c1[c-]c(ccc1)Cc1nc(cc3ccccc13)-c1cc3ccccc3c(n1)C2
InChIInChI=1S/C44H32N2.C36H40N2.C32H20N2.C31H20N2.C28H22F2N2.5Pt/c1-43(2)31-21-27-13-5-9-17-33(27)37(25-31)39-23-29-15-7-11-19-35(29)41(45-39)44(3,4)42-36-20-12-8-16-30(36)24-40(46-42)38-26-32(43)22-28-14-6-10-18-34(28)38;1-33(2,3)27-19-29-23-13-11-15-25(17-23)35(7,8)26-16-12-14-24(18-26)30-20-28(34(4,5)6)22-32(38-30)36(9,10)31(21-27)37-29;1-3-13-27-25(9-1)19-31-32-20-26-10-2-4-14-28(26)30(34-32)18-22-8-6-12-24(16-22)23-11-5-7-21(15-23)17-29(27)33-31;1-31(2)24-7-3-5-22(17-24)26-15-13-20-11-9-19-10-12-21-14-16-27(23-6-4-8-25(31)18-23)33-30(21)28(19)29(20)32-26;1-27(2)19-15-17(11-13-21(19)29)23-7-5-9-25(31-23)28(3,4)26-10-6-8-24(32-26)18-12-14-22(30)20(27)16-18;;;;;/h5-24H,1-4H3;11-16,19-22H,1-10H3;1-14,19-20H,17-18H2;3-16H,1-2H3;5-14H,1-4H3;;;;;/q5*-2;5*+2
InChIKeyQAZMGOMHTDSISV-UHFFFAOYSA-N
MW3342.41 g/mol
LogP41.32
Rot. Bonds

About CID 158354375

CID 158354375 (PubChem CID 158354375) has the molecular formula C171H134F2N10Pt5 and a molecular weight of 3342.41 g/mol.

Molecular Properties

Compound NameCID 158354375
PubChem CID158354375
Molecular FormulaC171H134F2N10Pt5
Molecular Weight3342.41 g/mol
Exact Mass3339.90
IUPAC Name—
SMILESCC(C)(C)c1cc2nc(c1)C(C)(C)c1cc(C(C)(C)C)cc(n1)-c1[c-]c(ccc1)C(C)(C)c1[c-]c-2ccc1.CC1(C)c2[c-]c(c3ccccc3c2)-c2cc3ccccc3c(n2)C(C)(C)c2nc(cc3ccccc23)-c2[c-]c1cc1ccccc21.CC1(C)c2[c-]c(ccc2)-c2ccc3ccc4ccc5ccc(nc5c4c3n2)-c2[c-]c1ccc2.CC1(C)c2cccc(n2)-c2[c-]c(c(F)cc2)C(C)(C)c2[c-]c(ccc2F)-c2cccc1n2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c2cccc1-c1[c-]c(ccc1)Cc1nc(cc3ccccc13)-c1cc3ccccc3c(n1)C2
InChIInChI=1S/C44H32N2.C36H40N2.C32H20N2.C31H20N2.C28H22F2N2.5Pt/c1-43(2)31-21-27-13-5-9-17-33(27)37(25-31)39-23-29-15-7-11-19-35(29)41(45-39)44(3,4)42-36-20-12-8-16-30(36)24-40(46-42)38-26-32(43)22-28-14-6-10-18-34(28)38;1-33(2,3)27-19-29-23-13-11-15-25(17-23)35(7,8)26-16-12-14-24(18-26)30-20-28(34(4,5)6)22-32(38-30)36(9,10)31(21-27)37-29;1-3-13-27-25(9-1)19-31-32-20-26-10-2-4-14-28(26)30(34-32)18-22-8-6-12-24(16-22)23-11-5-7-21(15-23)17-29(27)33-31;1-31(2)24-7-3-5-22(17-24)26-15-13-20-11-9-19-10-12-21-14-16-27(23-6-4-8-25(31)18-23)33-30(21)28(19)29(20)32-26;1-27(2)19-15-17(11-13-21(19)29)23-7-5-9-25(31-23)28(3,4)26-10-6-8-24(32-26)18-12-14-22(30)20(27)16-18;;;;;/h5-24H,1-4H3;11-16,19-22H,1-10H3;1-14,19-20H,17-18H2;3-16H,1-2H3;5-14H,1-4H3;;;;;/q5*-2;5*+2
InChIKeyQAZMGOMHTDSISV-UHFFFAOYSA-N
XLogP41.32
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003342.41
LogP ≤ 541.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158354375?
The IUPAC name of CID 158354375 (CID 158354375) is not available.
What is the SMILES notation for CID 158354375?
The canonical SMILES for CID 158354375 is CC(C)(C)c1cc2nc(c1)C(C)(C)c1cc(C(C)(C)C)cc(n1)-c1[c-]c(ccc1)C(C)(C)c1[c-]c-2ccc1.CC1(C)c2[c-]c(c3ccccc3c2)-c2cc3ccccc3c(n2)C(C)(C)c2nc(cc3ccccc23)-c2[c-]c1cc1ccccc21.CC1(C)c2[c-]c(ccc2)-c2ccc3ccc4ccc5ccc(nc5c4c3n2)-c2[c-]c1ccc2.CC1(C)c2cccc(n2)-c2[c-]c(c(F)cc2)C(C)(C)c2[c-]c(ccc2F)-c2cccc1n2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c2cccc1-c1[c-]c(ccc1)Cc1nc(cc3ccccc13)-c1cc3ccccc3c(n1)C2.
What is the InChIKey of CID 158354375?
The InChIKey is QAZMGOMHTDSISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2.C36H40N2.C32H20N2.C31H20N2.C28H22F2N2.5Pt/c1-43(2)31-21-27-13-5-9-17-33(27)37(25-31)39-23-29-15-7-11-19-35(29)41(45-39)44(3,4)42-36-20-12-8-16-30(36)24-40(46-42)38-26-32(43)22-28-14-6-10-18-34(28)38;1-33(2,3)27-19-29-23-13-11-15-25(17-23)35(7,8)26-16-12-14-24(18-26)30-20-28(34(4,5)6)22-32(38-30)36(9,10)31(21-27)37-29;1-3-13-27-25(9-1)19-31-32-20-26-10-2-4-14-28(26)30(34-32)18-22-8-6-12-24(16-22)23-11-5-7-21(15-23)17-29(27)33-31;1-31(2)24-7-3-5-22(17-24)26-15-13-20-11-9-19-10-12-21-14-16-27(23-6-4-8-25(31)18-23)33-30(21)28(19)29(20)32-26;1-27(2)19-15-17(11-13-21(19)29)23-7-5-9-25(31-23)28(3,4)26-10-6-8-24(32-26)18-12-14-22(30)20(27)16-18;;;;;/h5-24H,1-4H3;11-16,19-22H,1-10H3;1-14,19-20H,17-18H2;3-16H,1-2H3;5-14H,1-4H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 158354375?
CID 158354375 has a molecular weight of 3342.41 g/mol, XLogP of 41.32, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158354375 is sourced from PubChem (CID 158354375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).