CID 157153908

C147H107N25OPPt4Si2-3 — CID 157153908

About CID 157153908

CID 157153908 (PubChem CID 157153908) has the molecular formula C147H107N25OPPt4Si2-3 and a molecular weight of 3107.10 g/mol.

Molecular Properties

• Compound Name: CID 157153908
• PubChem CID: 157153908
• Molecular Formula: C147H107N25OPPt4Si2-3
• Molecular Weight: 3107.10 g/mol
• Exact Mass: 3104.70
• IUPAC Name: —
• SMILES: CN1c2ccccc2N(c2[c-]cccc2)c2[c-]c3n(c21)N(C)CCN3c1cccc(-c2cn(C)c3c2[cH-]c[n+]3C)n1.C[Si]=C(C)N1c2ccccc2Oc2cc3c4ccccc4n(-c4cccc(-n5ccc6ccc[c-]c65)n4)c3nc21.Cn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(nc54)C(n4[c-]cc5ccccc54)c4ccccc4-6)nc32)[c-]c2ccccc21.Cn1cc[c-]c1-n1ccc2c1nc(-n1c3ccccc3n3c4c5ccccc5n([Si](c5ccccc5)c5ccccc5)c4[c-]c13)n2C.[Pt+2].[Pt+2].[Pt].[Pt]
• InChI: InChI=1S/C42H26N5P.C39H28N7Si.C33H30N8.C33H23N5OSi.4Pt/c1-45-34-15-7-3-11-28(34)24-38(45)48-23-21-27-18-19-37(43-42(27)48)47-36-17-9-6-13-30(36)33-25-32-29-12-4-5-14-31(29)40(39(32)44-41(33)47)46-22-20-26-10-2-8-16-35(26)46;1-41-24-13-22-35(41)43-25-23-33-38(43)40-39(42(33)2)45-32-21-12-11-20-31(32)44-36(45)26-34-37(44)29-18-9-10-19-30(29)46(34)47(27-14-5-3-6-15-27)28-16-7-4-8-17-28;1-35-18-17-24-25(22-36(2)32(24)35)26-13-10-16-30(34-26)39-20-19-37(3)41-31(39)21-29-33(41)38(4)27-14-8-9-15-28(27)40(29)23-11-6-5-7-12-23;1-21(40-2)37-27-14-7-8-15-28(27)39-29-20-24-23-11-4-6-13-26(23)38(32(24)35-33(29)37)31-17-9-16-30(34-31)36-19-18-22-10-3-5-12-25(22)36;;;;/h2-21,23,25,40H,1H3;3-21,23-25H,1-2H3;5-11,13-18,22H,19-20H2,1-4H3;3-11,13-20H,1-2H3;;;;/q3*-2;-1;;;2*+2
• InChIKey: ACTHVPQWQIWCNX-UHFFFAOYSA-N
• XLogP: 29.54
• TPSA: 170.22 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3107.10
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 157153908?

The IUPAC name of CID 157153908 (CID 157153908) is not available.

What is the SMILES notation for CID 157153908?

The canonical SMILES for CID 157153908 is CN1c2ccccc2N(c2[c-]cccc2)c2[c-]c3n(c21)N(C)CCN3c1cccc(-c2cn(C)c3c2[cH-]c[n+]3C)n1.C[Si]=C(C)N1c2ccccc2Oc2cc3c4ccccc4n(-c4cccc(-n5ccc6ccc[c-]c65)n4)c3nc21.Cn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(nc54)C(n4[c-]cc5ccccc54)c4ccccc4-6)nc32)[c-]c2ccccc21.Cn1cc[c-]c1-n1ccc2c1nc(-n1c3ccccc3n3c4c5ccccc5n([Si](c5ccccc5)c5ccccc5)c4[c-]c13)n2C.[Pt+2].[Pt+2].[Pt].[Pt].

What is the InChIKey of CID 157153908?

The InChIKey is ACTHVPQWQIWCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N5P.C39H28N7Si.C33H30N8.C33H23N5OSi.4Pt/c1-45-34-15-7-3-11-28(34)24-38(45)48-23-21-27-18-19-37(43-42(27)48)47-36-17-9-6-13-30(36)33-25-32-29-12-4-5-14-31(29)40(39(32)44-41(33)47)46-22-20-26-10-2-8-16-35(26)46;1-41-24-13-22-35(41)43-25-23-33-38(43)40-39(42(33)2)45-32-21-12-11-20-31(32)44-36(45)26-34-37(44)29-18-9-10-19-30(29)46(34)47(27-14-5-3-6-15-27)28-16-7-4-8-17-28;1-35-18-17-24-25(22-36(2)32(24)35)26-13-10-16-30(34-26)39-20-19-37(3)41-31(39)21-29-33(41)38(4)27-14-8-9-15-28(27)40(29)23-11-6-5-7-12-23;1-21(40-2)37-27-14-7-8-15-28(27)39-29-20-24-23-11-4-6-13-26(23)38(32(24)35-33(29)37)31-17-9-16-30(34-31)36-19-18-22-10-3-5-12-25(22)36;;;;/h2-21,23,25,40H,1H3;3-21,23-25H,1-2H3;5-11,13-18,22H,19-20H2,1-4H3;3-11,13-20H,1-2H3;;;;/q3*-2;-1;;;2*+2.

What are the key properties of CID 157153908?

CID 157153908 has a molecular weight of 3107.10 g/mol, XLogP of 29.54, 14 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157153908 is sourced from PubChem (CID 157153908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).