CID 157063556

C152H140F6N30O2Pt6 — CID 157063556

IUPAC—
SMILESCC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)c4)n3)n2)c1.CC(C)(C)c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1ccn(-c2[c-]ccc3c2oc2ccccc23)n1)c1ccn(-c2[c-]ccc3c2oc2ccccc23)n1.CC(C)(c1ccn(-c2[c-]cccc2)n1)c1ccn(-c2[c-]cccc2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)c4)n3)n2)c1.Cc1cn(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(F)(F)F)c4)n3)n2)[c-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C33H22N4O2.C29H34N4.C25H30N8.C23H19F3N4.C21H17F3N6.C21H18N4.6Pt/c1-33(2,29-17-19-36(34-29)25-13-7-11-23-21-9-3-5-15-27(21)38-31(23)25)30-18-20-37(35-30)26-14-8-12-24-22-10-4-6-16-28(22)39-32(24)26;1-27(2,3)21-15-17-32(19-21)25-13-9-11-23(30-25)29(7,8)24-12-10-14-26(31-24)33-18-16-22(20-33)28(4,5)6;1-23(2,3)21-26-15-32(30-21)19-13-9-11-17(28-19)25(7,8)18-12-10-14-20(29-18)33-16-27-22(31-33)24(4,5)6;1-16-10-12-29(14-16)20-8-4-6-18(27-20)22(2,3)19-7-5-9-21(28-19)30-13-11-17(15-30)23(24,25)26;1-14-10-29(12-25-14)18-8-4-6-15(27-18)20(2,3)16-7-5-9-19(28-16)30-11-17(26-13-30)21(22,23)24;1-21(2,19-13-15-24(22-19)17-9-5-3-6-10-17)20-14-16-25(23-20)18-11-7-4-8-12-18;;;;;;/h3-12,15-20H,1-2H3;9-16,19-20H,1-8H3;9-14H,1-8H3;4-11,14-15H,1-3H3;4-11H,1-3H3;3-9,11,13-16H,1-2H3;;;;;;/q6*-2;6*+2
InChIKeyWXXSNGBAEPYBOR-UHFFFAOYSA-N
MW3703.46 g/mol
LogP31.90
Rot. Bonds24

About CID 157063556

CID 157063556 (PubChem CID 157063556) has the molecular formula C152H140F6N30O2Pt6 and a molecular weight of 3703.46 g/mol.

Molecular Properties

Compound NameCID 157063556
PubChem CID157063556
Molecular FormulaC152H140F6N30O2Pt6
Molecular Weight3703.46 g/mol
Exact Mass3700.96
IUPAC Name—
SMILESCC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)c4)n3)n2)c1.CC(C)(C)c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1ccn(-c2[c-]ccc3c2oc2ccccc23)n1)c1ccn(-c2[c-]ccc3c2oc2ccccc23)n1.CC(C)(c1ccn(-c2[c-]cccc2)n1)c1ccn(-c2[c-]cccc2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)c4)n3)n2)c1.Cc1cn(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(F)(F)F)c4)n3)n2)[c-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C33H22N4O2.C29H34N4.C25H30N8.C23H19F3N4.C21H17F3N6.C21H18N4.6Pt/c1-33(2,29-17-19-36(34-29)25-13-7-11-23-21-9-3-5-15-27(21)38-31(23)25)30-18-20-37(35-30)26-14-8-12-24-22-10-4-6-16-28(22)39-32(24)26;1-27(2,3)21-15-17-32(19-21)25-13-9-11-23(30-25)29(7,8)24-12-10-14-26(31-24)33-18-16-22(20-33)28(4,5)6;1-23(2,3)21-26-15-32(30-21)19-13-9-11-17(28-19)25(7,8)18-12-10-14-20(29-18)33-16-27-22(31-33)24(4,5)6;1-16-10-12-29(14-16)20-8-4-6-18(27-20)22(2,3)19-7-5-9-21(28-19)30-13-11-17(15-30)23(24,25)26;1-14-10-29(12-25-14)18-8-4-6-15(27-18)20(2,3)16-7-5-9-19(28-16)30-11-17(26-13-30)21(22,23)24;1-21(2,19-13-15-24(22-19)17-9-5-3-6-10-17)20-14-16-25(23-20)18-11-7-4-8-12-18;;;;;;/h3-12,15-20H,1-2H3;9-16,19-20H,1-8H3;9-14H,1-8H3;4-11,14-15H,1-3H3;4-11H,1-3H3;3-9,11,13-16H,1-2H3;;;;;;/q6*-2;6*+2
InChIKeyWXXSNGBAEPYBOR-UHFFFAOYSA-N
XLogP31.90
TPSA317.46 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003703.46
LogP ≤ 531.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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 157063556?
The IUPAC name of CID 157063556 (CID 157063556) is not available.
What is the SMILES notation for CID 157063556?
The canonical SMILES for CID 157063556 is CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)c4)n3)n2)c1.CC(C)(C)c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1ccn(-c2[c-]ccc3c2oc2ccccc23)n1)c1ccn(-c2[c-]ccc3c2oc2ccccc23)n1.CC(C)(c1ccn(-c2[c-]cccc2)n1)c1ccn(-c2[c-]cccc2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)c4)n3)n2)c1.Cc1cn(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(F)(F)F)c4)n3)n2)[c-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 157063556?
The InChIKey is WXXSNGBAEPYBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O2.C29H34N4.C25H30N8.C23H19F3N4.C21H17F3N6.C21H18N4.6Pt/c1-33(2,29-17-19-36(34-29)25-13-7-11-23-21-9-3-5-15-27(21)38-31(23)25)30-18-20-37(35-30)26-14-8-12-24-22-10-4-6-16-28(22)39-32(24)26;1-27(2,3)21-15-17-32(19-21)25-13-9-11-23(30-25)29(7,8)24-12-10-14-26(31-24)33-18-16-22(20-33)28(4,5)6;1-23(2,3)21-26-15-32(30-21)19-13-9-11-17(28-19)25(7,8)18-12-10-14-20(29-18)33-16-27-22(31-33)24(4,5)6;1-16-10-12-29(14-16)20-8-4-6-18(27-20)22(2,3)19-7-5-9-21(28-19)30-13-11-17(15-30)23(24,25)26;1-14-10-29(12-25-14)18-8-4-6-15(27-18)20(2,3)16-7-5-9-19(28-16)30-11-17(26-13-30)21(22,23)24;1-21(2,19-13-15-24(22-19)17-9-5-3-6-10-17)20-14-16-25(23-20)18-11-7-4-8-12-18;;;;;;/h3-12,15-20H,1-2H3;9-16,19-20H,1-8H3;9-14H,1-8H3;4-11,14-15H,1-3H3;4-11H,1-3H3;3-9,11,13-16H,1-2H3;;;;;;/q6*-2;6*+2.
What are the key properties of CID 157063556?
CID 157063556 has a molecular weight of 3703.46 g/mol, XLogP of 31.90, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157063556 is sourced from PubChem (CID 157063556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).