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 Name	CID 157186260
PubChem CID	157186260
Molecular Formula	C114H101N11Pt4
Molecular Weight	2405.45 g/mol
Exact Mass	2403.68
IUPAC Name	—
SMILES	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
InChI	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;25-16H,1-4H3;1-17H;;;;/q4-2;4*+2
InChIKey	KVPTZHONHCUBEQ-UHFFFAOYSA-N
XLogP	25.56
TPSA	116.22 Å²
H-Bond Donors
H-Bond Acceptors	11
Rotatable Bonds	5
Heavy Atoms	129
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2405.45
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Related Compounds

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).