CID 157113488

C151H118F10N12Pt5 — CID 157113488

IUPAC—
SMILESCC(C)(c1cccc(Cc2[c-]cccc2)n1)c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(Cc2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.CC1(C)c2[c-]c(ccc2)C(C)(C)c2[c-]c(c(F)cc2F)-c2cccc(n2)C(C)(C)c2cccc1n2.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(c4[c-]ccc(C(F)(F)F)c4)(c4ccccc4)c4ccccc4)n3)n2)c1F.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(Cc4[c-]cccc4)n3)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C40H26F5N3.C31H28F2N2.C27H21F3N2.C27H21N3.C26H22N2.5Pt/c1-38(2,33-20-11-19-32(47-33)30-23-24-31(41)37(46-3)36(30)42)34-21-12-22-35(48-34)39(26-13-6-4-7-14-26,27-15-8-5-9-16-27)28-17-10-18-29(25-28)40(43,44)45;1-29(2)19-10-7-11-20(16-19)30(3,4)26-14-9-15-28(35-26)31(5,6)27-13-8-12-25(34-27)21-17-22(29)24(33)18-23(21)32;1-26(2,24-15-7-13-22(31-24)17-19-9-4-3-5-10-19)25-16-8-14-23(32-25)20-11-6-12-21(18-20)27(28,29)30;1-27(2,25-16-8-14-23(29-25)18-20-10-5-4-6-11-20)26-17-9-15-24(30-26)21-12-7-13-22(19-21)28-3;1-26(2,25-18-10-16-23(28-25)21-13-7-4-8-14-21)24-17-9-15-22(27-24)19-20-11-5-3-6-12-20;;;;;/h4-16,18-22,24-25H,1-2H3;7-15,18H,1-6H3;3-9,12-16,18H,17H2,1-2H3;4-10,13-17,19H,18H2,1-2H3;3-11,13,15-18H,19H2,1-2H3;;;;;/q5*-2;5*+2
InChIKeySTRQJIDZZDKABN-UHFFFAOYSA-N
MW3266.06 g/mol
LogP36.15
Rot. Bonds22

About CID 157113488

CID 157113488 (PubChem CID 157113488) has the molecular formula C151H118F10N12Pt5 and a molecular weight of 3266.06 g/mol.

Molecular Properties

Compound NameCID 157113488
PubChem CID157113488
Molecular FormulaC151H118F10N12Pt5
Molecular Weight3266.06 g/mol
Exact Mass3263.77
IUPAC Name—
SMILESCC(C)(c1cccc(Cc2[c-]cccc2)n1)c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(Cc2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.CC1(C)c2[c-]c(ccc2)C(C)(C)c2[c-]c(c(F)cc2F)-c2cccc(n2)C(C)(C)c2cccc1n2.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(c4[c-]ccc(C(F)(F)F)c4)(c4ccccc4)c4ccccc4)n3)n2)c1F.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(Cc4[c-]cccc4)n3)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C40H26F5N3.C31H28F2N2.C27H21F3N2.C27H21N3.C26H22N2.5Pt/c1-38(2,33-20-11-19-32(47-33)30-23-24-31(41)37(46-3)36(30)42)34-21-12-22-35(48-34)39(26-13-6-4-7-14-26,27-15-8-5-9-16-27)28-17-10-18-29(25-28)40(43,44)45;1-29(2)19-10-7-11-20(16-19)30(3,4)26-14-9-15-28(35-26)31(5,6)27-13-8-12-25(34-27)21-17-22(29)24(33)18-23(21)32;1-26(2,24-15-7-13-22(31-24)17-19-9-4-3-5-10-19)25-16-8-14-23(32-25)20-11-6-12-21(18-20)27(28,29)30;1-27(2,25-16-8-14-23(29-25)18-20-10-5-4-6-11-20)26-17-9-15-24(30-26)21-12-7-13-22(19-21)28-3;1-26(2,25-18-10-16-23(28-25)21-13-7-4-8-14-21)24-17-9-15-22(27-24)19-20-11-5-3-6-12-20;;;;;/h4-16,18-22,24-25H,1-2H3;7-15,18H,1-6H3;3-9,12-16,18H,17H2,1-2H3;4-10,13-17,19H,18H2,1-2H3;3-11,13,15-18H,19H2,1-2H3;;;;;/q5*-2;5*+2
InChIKeySTRQJIDZZDKABN-UHFFFAOYSA-N
XLogP36.15
TPSA137.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms178
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003266.06
LogP ≤ 536.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 157113488?
The IUPAC name of CID 157113488 (CID 157113488) is not available.
What is the SMILES notation for CID 157113488?
The canonical SMILES for CID 157113488 is CC(C)(c1cccc(Cc2[c-]cccc2)n1)c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(Cc2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.CC1(C)c2[c-]c(ccc2)C(C)(C)c2[c-]c(c(F)cc2F)-c2cccc(n2)C(C)(C)c2cccc1n2.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(c4[c-]ccc(C(F)(F)F)c4)(c4ccccc4)c4ccccc4)n3)n2)c1F.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(Cc4[c-]cccc4)n3)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 157113488?
The InChIKey is STRQJIDZZDKABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F5N3.C31H28F2N2.C27H21F3N2.C27H21N3.C26H22N2.5Pt/c1-38(2,33-20-11-19-32(47-33)30-23-24-31(41)37(46-3)36(30)42)34-21-12-22-35(48-34)39(26-13-6-4-7-14-26,27-15-8-5-9-16-27)28-17-10-18-29(25-28)40(43,44)45;1-29(2)19-10-7-11-20(16-19)30(3,4)26-14-9-15-28(35-26)31(5,6)27-13-8-12-25(34-27)21-17-22(29)24(33)18-23(21)32;1-26(2,24-15-7-13-22(31-24)17-19-9-4-3-5-10-19)25-16-8-14-23(32-25)20-11-6-12-21(18-20)27(28,29)30;1-27(2,25-16-8-14-23(29-25)18-20-10-5-4-6-11-20)26-17-9-15-24(30-26)21-12-7-13-22(19-21)28-3;1-26(2,25-18-10-16-23(28-25)21-13-7-4-8-14-21)24-17-9-15-22(27-24)19-20-11-5-3-6-12-20;;;;;/h4-16,18-22,24-25H,1-2H3;7-15,18H,1-6H3;3-9,12-16,18H,17H2,1-2H3;4-10,13-17,19H,18H2,1-2H3;3-11,13,15-18H,19H2,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 157113488?
CID 157113488 has a molecular weight of 3266.06 g/mol, XLogP of 36.15, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157113488 is sourced from PubChem (CID 157113488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).