CID 157186260

C114H101N11Pt4 — CID 157186260

IUPAC—
SMILESCC1(C)c2[c-]c(ccc2)-c2cccc(n2)C(C)(C)c2[c-]c(ccc2)-c2cccc1n2.CC1(C)c2[c-]c(ccc2)-c2cccc(n2)C(C)(C)c2cccc(n2)-c2[c-]c1ccc2.CC1(C)c2[c-]c(ccc2)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c(ccc2)C(C)(C)c2cccc1n2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(N(c2[c-]c(-n3cccn3)ccc2)c2ccccc2)cccc1-n1cccn1
InChIInChI=1S/C34H36N2.2C28H24N2.C24H17N5.4Pt/c1-31(2)23-13-9-14-24(21-23)32(3,4)29-19-12-20-30(36-29)34(7,8)26-16-10-15-25(22-26)33(5,6)28-18-11-17-27(31)35-28;1-27(2)21-11-5-9-19(17-21)24-14-8-16-26(30-24)28(3,4)22-12-6-10-20(18-22)23-13-7-15-25(27)29-23;1-27(2)21-11-5-9-19(17-21)23-13-7-15-25(29-23)28(3,4)26-16-8-14-24(30-26)20-10-6-12-22(27)18-20;1-2-8-20(9-3-1)29(23-12-4-10-21(18-23)27-16-6-14-25-27)24-13-5-11-22(19-24)28-17-7-15-26-28;;;;/h9-20H,1-8H3;2*5-16H,1-4H3;1-17H;;;;/q4*-2;4*+2
InChIKeyKVPTZHONHCUBEQ-UHFFFAOYSA-N
MW2405.45 g/mol
LogP25.56
Rot. Bonds5

About CID 157186260

CID 157186260 (PubChem CID 157186260) has the molecular formula C114H101N11Pt4 and a molecular weight of 2405.45 g/mol.

Molecular Properties

Compound NameCID 157186260
PubChem CID157186260
Molecular FormulaC114H101N11Pt4
Molecular Weight2405.45 g/mol
Exact Mass2403.68
IUPAC Name—
SMILESCC1(C)c2[c-]c(ccc2)-c2cccc(n2)C(C)(C)c2[c-]c(ccc2)-c2cccc1n2.CC1(C)c2[c-]c(ccc2)-c2cccc(n2)C(C)(C)c2cccc(n2)-c2[c-]c1ccc2.CC1(C)c2[c-]c(ccc2)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c(ccc2)C(C)(C)c2cccc1n2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(N(c2[c-]c(-n3cccn3)ccc2)c2ccccc2)cccc1-n1cccn1
InChIInChI=1S/C34H36N2.2C28H24N2.C24H17N5.4Pt/c1-31(2)23-13-9-14-24(21-23)32(3,4)29-19-12-20-30(36-29)34(7,8)26-16-10-15-25(22-26)33(5,6)28-18-11-17-27(31)35-28;1-27(2)21-11-5-9-19(17-21)24-14-8-16-26(30-24)28(3,4)22-12-6-10-20(18-22)23-13-7-15-25(27)29-23;1-27(2)21-11-5-9-19(17-21)23-13-7-15-25(29-23)28(3,4)26-16-8-14-24(30-26)20-10-6-12-22(27)18-20;1-2-8-20(9-3-1)29(23-12-4-10-21(18-23)27-16-6-14-25-27)24-13-5-11-22(19-24)28-17-7-15-26-28;;;;/h9-20H,1-8H3;2*5-16H,1-4H3;1-17H;;;;/q4*-2;4*+2
InChIKeyKVPTZHONHCUBEQ-UHFFFAOYSA-N
XLogP25.56
TPSA116.22 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002405.45
LogP ≤ 525.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 157186260?
The IUPAC name of CID 157186260 (CID 157186260) is not available.
What is the SMILES notation for CID 157186260?
The canonical SMILES for CID 157186260 is CC1(C)c2[c-]c(ccc2)-c2cccc(n2)C(C)(C)c2[c-]c(ccc2)-c2cccc1n2.CC1(C)c2[c-]c(ccc2)-c2cccc(n2)C(C)(C)c2cccc(n2)-c2[c-]c1ccc2.CC1(C)c2[c-]c(ccc2)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c(ccc2)C(C)(C)c2cccc1n2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(N(c2[c-]c(-n3cccn3)ccc2)c2ccccc2)cccc1-n1cccn1.
What is the InChIKey of CID 157186260?
The InChIKey is KVPTZHONHCUBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2.2C28H24N2.C24H17N5.4Pt/c1-31(2)23-13-9-14-24(21-23)32(3,4)29-19-12-20-30(36-29)34(7,8)26-16-10-15-25(22-26)33(5,6)28-18-11-17-27(31)35-28;1-27(2)21-11-5-9-19(17-21)24-14-8-16-26(30-24)28(3,4)22-12-6-10-20(18-22)23-13-7-15-25(27)29-23;1-27(2)21-11-5-9-19(17-21)23-13-7-15-25(29-23)28(3,4)26-16-8-14-24(30-26)20-10-6-12-22(27)18-20;1-2-8-20(9-3-1)29(23-12-4-10-21(18-23)27-16-6-14-25-27)24-13-5-11-22(19-24)28-17-7-15-26-28;;;;/h9-20H,1-8H3;2*5-16H,1-4H3;1-17H;;;;/q4*-2;4*+2.
What are the key properties of CID 157186260?
CID 157186260 has a molecular weight of 2405.45 g/mol, XLogP of 25.56, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157186260 is sourced from PubChem (CID 157186260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).