CID 170932366

C51H55N3O2Pt — CID 170932366

IUPAC—
SMILESCc1cc2c3cc(C(C)(C)C)cc4c3n(c2[c-]c1Oc1[c-]c(C2=N[C@]3(C)CCC[C@]3(C)O2)cc(-c2c(C(C)C)cccc2C(C)C)c1)-c1ncccc1C4(C)C.[Pt+2]
InChIInChI=1S/C51H55N3O2.Pt/c1-29(2)36-16-13-17-37(30(3)4)44(36)32-23-33(47-53-50(11)19-15-20-51(50,12)56-47)25-35(24-32)55-43-28-42-38(22-31(43)5)39-26-34(48(6,7)8)27-41-45(39)54(42)46-40(49(41,9)10)18-14-21-52-46;/h13-14,16-18,21-24,26-27,29-30H,15,19-20H2,1-12H3;/q-2;+2/t50-,51+;/m1./s1
InChIKeyDROWRSDIRQIWGO-ZILCTCJPSA-N
MW937.10 g/mol
LogP13.21
Rot. Bonds6

About CID 170932366

CID 170932366 (PubChem CID 170932366) has the molecular formula C51H55N3O2Pt and a molecular weight of 937.10 g/mol.

Molecular Properties

Compound NameCID 170932366
PubChem CID170932366
Molecular FormulaC51H55N3O2Pt
Molecular Weight937.10 g/mol
Exact Mass936.39
IUPAC Name—
SMILESCc1cc2c3cc(C(C)(C)C)cc4c3n(c2[c-]c1Oc1[c-]c(C2=N[C@]3(C)CCC[C@]3(C)O2)cc(-c2c(C(C)C)cccc2C(C)C)c1)-c1ncccc1C4(C)C.[Pt+2]
InChIInChI=1S/C51H55N3O2.Pt/c1-29(2)36-16-13-17-37(30(3)4)44(36)32-23-33(47-53-50(11)19-15-20-51(50,12)56-47)25-35(24-32)55-43-28-42-38(22-31(43)5)39-26-34(48(6,7)8)27-41-45(39)54(42)46-40(49(41,9)10)18-14-21-52-46;/h13-14,16-18,21-24,26-27,29-30H,15,19-20H2,1-12H3;/q-2;+2/t50-,51+;/m1./s1
InChIKeyDROWRSDIRQIWGO-ZILCTCJPSA-N
XLogP13.21
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.10
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 170934538
CID 170934538
(3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)
CID 170933897
CID 170932203
CID 170932203
CID 170934055
CID 170934055
CID 170935004
CID 170935004
(4R)-2-[3-[(10-tert-butyl-5,13,13-trimethyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-yl)oxy]-5-[2,6-di(propan-2-yl)phenyl]phenyl]-4-(2,4-dimethylpentan-3-yl)-4-methyl-5H-1,3-oxazole
CID 170935740
CID 170933627
CID 170933627
CID 170935901
CID 170935901
CID 170935442
CID 170935442
(3aR,6aS)-2-[3-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)
CID 170932597
(4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170933176
CID 170935897
CID 170935897

Frequently Asked Questions

What is the IUPAC name of CID 170932366?
The IUPAC name of CID 170932366 (CID 170932366) is not available.
What is the SMILES notation for CID 170932366?
The canonical SMILES for CID 170932366 is Cc1cc2c3cc(C(C)(C)C)cc4c3n(c2[c-]c1Oc1[c-]c(C2=N[C@]3(C)CCC[C@]3(C)O2)cc(-c2c(C(C)C)cccc2C(C)C)c1)-c1ncccc1C4(C)C.[Pt+2].
What is the InChIKey of CID 170932366?
The InChIKey is DROWRSDIRQIWGO-ZILCTCJPSA-N. The full InChI is InChI=1S/C51H55N3O2.Pt/c1-29(2)36-16-13-17-37(30(3)4)44(36)32-23-33(47-53-50(11)19-15-20-51(50,12)56-47)25-35(24-32)55-43-28-42-38(22-31(43)5)39-26-34(48(6,7)8)27-41-45(39)54(42)46-40(49(41,9)10)18-14-21-52-46;/h13-14,16-18,21-24,26-27,29-30H,15,19-20H2,1-12H3;/q-2;+2/t50-,51+;/m1./s1.
What are the key properties of CID 170932366?
CID 170932366 has a molecular weight of 937.10 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170932366 is sourced from PubChem (CID 170932366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).