CID 158019376

C195H182N29OPt5-3 — CID 158019376

About CID 158019376

CID 158019376 (PubChem CID 158019376) has the molecular formula C195H182N29OPt5-3 and a molecular weight of 3923.19 g/mol.

Molecular Properties

• Compound Name: CID 158019376
• PubChem CID: 158019376
• Molecular Formula: C195H182N29OPt5-3
• Molecular Weight: 3923.19 g/mol
• Exact Mass: 3920.33
• IUPAC Name: —
• SMILES: CC(C)c1c[c-]c2c(n1)c1cccc3c1n1c(c(C(C)(C)C(C)(C)c4nc5c6[c-]cc(C(C)C)nc6c6cccc7c6n5c4C(C)(C)C7(C)C)nc21)C(C)(C)C3(C)C.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)[c-]c1c1nccn21.Cc1c[c-]c2c(n1)c1cccc3c1n1c(c(C(C)(C)C(C)(C)c4nc5c6[c-]cc(C)nc6c6cccc7c6n5c4C(C)(C)C7(C)C)nc21)C(C)(C)C3(C)C.Cc1c[c-]c2c(n1)c1ccccc1n1cc(C(C)(C)C(C)(C)c3cn4c5ccccc5c5nc(C)c[c-]c5c4n3)nc21.Cc1c[c-]c2c(n1)c1ccccc1n1cc(CCc3cn4c5ccccc5c5nc(C)c[c-]c5c4n3)nc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
• InChI: InChI=1S/C52H58N6.C48H50N6.C36H30N6.C32H22N6.C27H22N5O.5Pt/c1-27(2)35-25-23-31-37(53-35)29-19-17-21-33-39(29)57-43(51(13,14)47(33,5)6)41(55-45(31)57)49(9,10)50(11,12)42-44-52(15,16)48(7,8)34-22-18-20-30-38-32(24-26-36(54-38)28(3)4)46(56-42)58(44)40(30)34;1-25-21-23-29-33(49-25)27-17-15-19-31-35(27)53-39(47(11,12)43(31,3)4)37(51-41(29)53)45(7,8)46(9,10)38-40-48(13,14)44(5,6)32-20-16-18-28-34-30(24-22-26(2)50-34)42(52-38)54(40)36(28)32;1-21-15-17-25-31(37-21)23-11-7-9-13-27(23)41-19-29(39-33(25)41)35(3,4)36(5,6)30-20-42-28-14-10-8-12-24(28)32-26(34(42)40-30)18-16-22(2)38-32;1-19-11-15-25-29(33-19)23-7-3-5-9-27(23)37-17-21(35-31(25)37)13-14-22-18-38-28-10-6-4-8-24(28)30-26(32(38)36-22)16-12-20(2)34-30;1-18(2)22-8-5-9-24-25(22)26-23(27-28-10-11-32(24)27)15-21(16-29-26)33-20-7-4-6-19(14-20)31-13-12-30(3)17-31;;;;;/h17-22,25-28H,1-16H3;15-22H,1-14H3;7-16,19-20H,1-6H3;3-12,17-18H,13-14H2,1-2H3;4-13,16-18H,1-3H3;;;;;/q4*-2;-3;;4*+2
• InChIKey: SZMLIPXGIDCQBU-UHFFFAOYSA-N
• XLogP: 43.75
• TPSA: 287.42 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3923.19
LogP ≤ 5	43.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158019376?

The IUPAC name of CID 158019376 (CID 158019376) is not available.

What is the SMILES notation for CID 158019376?

The canonical SMILES for CID 158019376 is CC(C)c1c[c-]c2c(n1)c1cccc3c1n1c(c(C(C)(C)C(C)(C)c4nc5c6[c-]cc(C(C)C)nc6c6cccc7c6n5c4C(C)(C)C7(C)C)nc21)C(C)(C)C3(C)C.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)[c-]c1c1nccn21.Cc1c[c-]c2c(n1)c1cccc3c1n1c(c(C(C)(C)C(C)(C)c4nc5c6[c-]cc(C)nc6c6cccc7c6n5c4C(C)(C)C7(C)C)nc21)C(C)(C)C3(C)C.Cc1c[c-]c2c(n1)c1ccccc1n1cc(C(C)(C)C(C)(C)c3cn4c5ccccc5c5nc(C)c[c-]c5c4n3)nc21.Cc1c[c-]c2c(n1)c1ccccc1n1cc(CCc3cn4c5ccccc5c5nc(C)c[c-]c5c4n3)nc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].

What is the InChIKey of CID 158019376?

The InChIKey is SZMLIPXGIDCQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H58N6.C48H50N6.C36H30N6.C32H22N6.C27H22N5O.5Pt/c1-27(2)35-25-23-31-37(53-35)29-19-17-21-33-39(29)57-43(51(13,14)47(33,5)6)41(55-45(31)57)49(9,10)50(11,12)42-44-52(15,16)48(7,8)34-22-18-20-30-38-32(24-26-36(54-38)28(3)4)46(56-42)58(44)40(30)34;1-25-21-23-29-33(49-25)27-17-15-19-31-35(27)53-39(47(11,12)43(31,3)4)37(51-41(29)53)45(7,8)46(9,10)38-40-48(13,14)44(5,6)32-20-16-18-28-34-30(24-22-26(2)50-34)42(52-38)54(40)36(28)32;1-21-15-17-25-31(37-21)23-11-7-9-13-27(23)41-19-29(39-33(25)41)35(3,4)36(5,6)30-20-42-28-14-10-8-12-24(28)32-26(34(42)40-30)18-16-22(2)38-32;1-19-11-15-25-29(33-19)23-7-3-5-9-27(23)37-17-21(35-31(25)37)13-14-22-18-38-28-10-6-4-8-24(28)30-26(32(38)36-22)16-12-20(2)34-30;1-18(2)22-8-5-9-24-25(22)26-23(27-28-10-11-32(24)27)15-21(16-29-26)33-20-7-4-6-19(14-20)31-13-12-30(3)17-31;;;;;/h17-22,25-28H,1-16H3;15-22H,1-14H3;7-16,19-20H,1-6H3;3-12,17-18H,13-14H2,1-2H3;4-13,16-18H,1-3H3;;;;;/q4*-2;-3;;4*+2.

What are the key properties of CID 158019376?

CID 158019376 has a molecular weight of 3923.19 g/mol, XLogP of 43.75, 18 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158019376 is sourced from PubChem (CID 158019376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).