CID 157153908

C147H107N25OPPt4Si2-3 — CID 157153908

IUPAC—
SMILESCN1c2ccccc2N(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]
InChIInChI=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
InChIKeyACTHVPQWQIWCNX-UHFFFAOYSA-N
MW3107.10 g/mol
LogP29.54
Rot. Bonds14

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 NameCID 157153908
PubChem CID157153908
Molecular FormulaC147H107N25OPPt4Si2-3
Molecular Weight3107.10 g/mol
Exact Mass3104.70
IUPAC Name—
SMILESCN1c2ccccc2N(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]
InChIInChI=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
InChIKeyACTHVPQWQIWCNX-UHFFFAOYSA-N
XLogP29.54
TPSA170.22 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003107.10
LogP ≤ 529.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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'}

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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).