CID 159283710

C179H144F18N13O3Pt5-3 — CID 159283710

IUPAC—
SMILESC1=C2[N-]/C(=C\c3cccc(n3)C3=CN(c4ccccc4)/C(=C/c4cccc2n4)[N-]3)N1c1ccccc1.CC1(C)c2[c-]c(ccc2)C(C)(C)c2[c-]c(cc3ccccc23)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c1cc1ccccc21.CC1(C)c2[c-]c(ccc2)C(C)(C)c2nc(cc3ccccc23)C(C)(C)c2[c-]c(ccc2)C(C)(C)c2nc1cc1ccccc21.COc1cc2nc(c1)C(C)(C)c1[c-]c(c(C(F)(F)F)cc1C)C(C)(C)c1cc(OC)cc(n1)C(=O)c1[c-]c(c(C)cc1C(F)(F)F)C2(C)C.Fc1cc(F)c2[c-]c1C(F)(F)c1cccc(n1)C(F)(F)c1[c-]c(c(F)cc1F)C(F)(F)c1cccc(n1)C2(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C43H40N.C42H40N2.C38H36F6N2O3.C30H20N6.C26H8F12N2.5Pt/c1-40(2)30-17-13-18-31(25-30)41(3,4)36-27-33(24-29-16-9-11-19-34(29)36)42(5,6)38-21-14-22-39(44-38)43(7,8)37-26-32(40)23-28-15-10-12-20-35(28)37;1-39(2)29-17-13-19-31(25-29)41(5,6)38-34-22-12-10-16-28(34)24-36(44-38)40(3,4)30-18-14-20-32(26-30)42(7,8)37-33-21-11-9-15-27(33)23-35(39)43-37;1-19-11-26(37(39,40)41)23-17-24(19)34(3,4)31-15-22(49-10)16-32(46-31)35(5,6)25-18-27(28(12-20(25)2)38(42,43)44)36(7,8)30-14-21(48-9)13-29(45-30)33(23)47;1-3-11-23(12-4-1)35-19-27-25-15-8-10-22(32-25)18-30-34-28(20-36(30)24-13-5-2-6-14-24)26-16-7-9-21(31-26)17-29(35)33-27;27-15-9-17(29)13-7-11(15)23(31,32)19-3-1-4-20(39-19)24(33,34)12-8-14(18(30)10-16(12)28)26(37,38)22-6-2-5-21(40-22)25(13,35)36;;;;;/h2*9-24H,1-8H3;11-16H,1-10H3;1-20H;1-6,9-10H;;;;;/q-3;4*-2;;4*+2/b;;;29-17+,30-18+;;;;;;
InChIKeyNOLMWLOBWDFECP-MLXLNGNNSA-N
MW3842.56 g/mol
LogP44.34
Rot. Bonds4

About CID 159283710

CID 159283710 (PubChem CID 159283710) has the molecular formula C179H144F18N13O3Pt5-3 and a molecular weight of 3842.56 g/mol.

Molecular Properties

Compound NameCID 159283710
PubChem CID159283710
Molecular FormulaC179H144F18N13O3Pt5-3
Molecular Weight3842.56 g/mol
Exact Mass3839.95
IUPAC Name—
SMILESC1=C2[N-]/C(=C\c3cccc(n3)C3=CN(c4ccccc4)/C(=C/c4cccc2n4)[N-]3)N1c1ccccc1.CC1(C)c2[c-]c(ccc2)C(C)(C)c2[c-]c(cc3ccccc23)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c1cc1ccccc21.CC1(C)c2[c-]c(ccc2)C(C)(C)c2nc(cc3ccccc23)C(C)(C)c2[c-]c(ccc2)C(C)(C)c2nc1cc1ccccc21.COc1cc2nc(c1)C(C)(C)c1[c-]c(c(C(F)(F)F)cc1C)C(C)(C)c1cc(OC)cc(n1)C(=O)c1[c-]c(c(C)cc1C(F)(F)F)C2(C)C.Fc1cc(F)c2[c-]c1C(F)(F)c1cccc(n1)C(F)(F)c1[c-]c(c(F)cc1F)C(F)(F)c1cccc(n1)C2(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C43H40N.C42H40N2.C38H36F6N2O3.C30H20N6.C26H8F12N2.5Pt/c1-40(2)30-17-13-18-31(25-30)41(3,4)36-27-33(24-29-16-9-11-19-34(29)36)42(5,6)38-21-14-22-39(44-38)43(7,8)37-26-32(40)23-28-15-10-12-20-35(28)37;1-39(2)29-17-13-19-31(25-29)41(5,6)38-34-22-12-10-16-28(34)24-36(44-38)40(3,4)30-18-14-20-32(26-30)42(7,8)37-33-21-11-9-15-27(33)23-35(39)43-37;1-19-11-26(37(39,40)41)23-17-24(19)34(3,4)31-15-22(49-10)16-32(46-31)35(5,6)25-18-27(28(12-20(25)2)38(42,43)44)36(7,8)30-14-21(48-9)13-29(45-30)33(23)47;1-3-11-23(12-4-1)35-19-27-25-15-8-10-22(32-25)18-30-34-28(20-36(30)24-13-5-2-6-14-24)26-16-7-9-21(31-26)17-29(35)33-27;27-15-9-17(29)13-7-11(15)23(31,32)19-3-1-4-20(39-19)24(33,34)12-8-14(18(30)10-16(12)28)26(37,38)22-6-2-5-21(40-22)25(13,35)36;;;;;/h2*9-24H,1-8H3;11-16H,1-10H3;1-20H;1-6,9-10H;;;;;/q-3;4*-2;;4*+2/b;;;29-17+,30-18+;;;;;;
InChIKeyNOLMWLOBWDFECP-MLXLNGNNSA-N
XLogP44.34
TPSA186.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003842.56
LogP ≤ 544.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159283710?
The IUPAC name of CID 159283710 (CID 159283710) is not available.
What is the SMILES notation for CID 159283710?
The canonical SMILES for CID 159283710 is C1=C2[N-]/C(=C\c3cccc(n3)C3=CN(c4ccccc4)/C(=C/c4cccc2n4)[N-]3)N1c1ccccc1.CC1(C)c2[c-]c(ccc2)C(C)(C)c2[c-]c(cc3ccccc23)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c1cc1ccccc21.CC1(C)c2[c-]c(ccc2)C(C)(C)c2nc(cc3ccccc23)C(C)(C)c2[c-]c(ccc2)C(C)(C)c2nc1cc1ccccc21.COc1cc2nc(c1)C(C)(C)c1[c-]c(c(C(F)(F)F)cc1C)C(C)(C)c1cc(OC)cc(n1)C(=O)c1[c-]c(c(C)cc1C(F)(F)F)C2(C)C.Fc1cc(F)c2[c-]c1C(F)(F)c1cccc(n1)C(F)(F)c1[c-]c(c(F)cc1F)C(F)(F)c1cccc(n1)C2(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of CID 159283710?
The InChIKey is NOLMWLOBWDFECP-MLXLNGNNSA-N. The full InChI is InChI=1S/C43H40N.C42H40N2.C38H36F6N2O3.C30H20N6.C26H8F12N2.5Pt/c1-40(2)30-17-13-18-31(25-30)41(3,4)36-27-33(24-29-16-9-11-19-34(29)36)42(5,6)38-21-14-22-39(44-38)43(7,8)37-26-32(40)23-28-15-10-12-20-35(28)37;1-39(2)29-17-13-19-31(25-29)41(5,6)38-34-22-12-10-16-28(34)24-36(44-38)40(3,4)30-18-14-20-32(26-30)42(7,8)37-33-21-11-9-15-27(33)23-35(39)43-37;1-19-11-26(37(39,40)41)23-17-24(19)34(3,4)31-15-22(49-10)16-32(46-31)35(5,6)25-18-27(28(12-20(25)2)38(42,43)44)36(7,8)30-14-21(48-9)13-29(45-30)33(23)47;1-3-11-23(12-4-1)35-19-27-25-15-8-10-22(32-25)18-30-34-28(20-36(30)24-13-5-2-6-14-24)26-16-7-9-21(31-26)17-29(35)33-27;27-15-9-17(29)13-7-11(15)23(31,32)19-3-1-4-20(39-19)24(33,34)12-8-14(18(30)10-16(12)28)26(37,38)22-6-2-5-21(40-22)25(13,35)36;;;;;/h2*9-24H,1-8H3;11-16H,1-10H3;1-20H;1-6,9-10H;;;;;/q-3;4*-2;;4*+2/b;;;29-17+,30-18+;;;;;;.
What are the key properties of CID 159283710?
CID 159283710 has a molecular weight of 3842.56 g/mol, XLogP of 44.34, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159283710 is sourced from PubChem (CID 159283710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).