(2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)

C44H43N3O2Pt — CID 170932547

IUPAC(2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)
SMILESCc1cc(Oc2[c-]c(C3=N[C@]4(C)CCCc5ccccc5[C@]4(C)O3)c(C)cc2C)[c-]c(-n2c3ccc(C(C)(C)C)cc3c3cccnc32)c1.[Pt+2]
InChIInChI=1S/C44H43N3O2.Pt/c1-27-21-32(47-38-18-17-31(42(4,5)6)24-36(38)34-15-12-20-45-40(34)47)25-33(22-27)48-39-26-35(28(2)23-29(39)3)41-46-43(7)19-11-14-30-13-9-10-16-37(30)44(43,8)49-41;/h9-10,12-13,15-18,20-24H,11,14,19H2,1-8H3;/q-2;+2/t43-,44+;/m1./s1
InChIKeySGOTYTKIAHOXQZ-RTJQRGJSSA-N
MW840.93 g/mol
LogP10.58
Rot. Bonds4

About (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)

(2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+) (PubChem CID 170932547) has the molecular formula C44H43N3O2Pt and a molecular weight of 840.93 g/mol. Its IUPAC name is (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+).

Molecular Properties

Compound Name(2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)
PubChem CID170932547
Molecular FormulaC44H43N3O2Pt
Molecular Weight840.93 g/mol
Exact Mass840.30
IUPAC Name(2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)
SMILESCc1cc(Oc2[c-]c(C3=N[C@]4(C)CCCc5ccccc5[C@]4(C)O3)c(C)cc2C)[c-]c(-n2c3ccc(C(C)(C)C)cc3c3cccnc32)c1.[Pt+2]
InChIInChI=1S/C44H43N3O2.Pt/c1-27-21-32(47-38-18-17-31(42(4,5)6)24-36(38)34-15-12-20-45-40(34)47)25-33(22-27)48-39-26-35(28(2)23-29(39)3)41-46-43(7)19-11-14-30-13-9-10-16-37(30)44(43,8)49-41;/h9-10,12-13,15-18,20-24H,11,14,19H2,1-8H3;/q-2;+2/t43-,44+;/m1./s1
InChIKeySGOTYTKIAHOXQZ-RTJQRGJSSA-N
XLogP10.58
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.93
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+) with MolForge

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Related Compounds

(3aR,11bS)-2-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-3a,5,7,8,10-pentamethyl-11bH-phenanthro[9,10-d][1,3]oxazole;platinum(2+)
CID 170935615
(5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)
CID 170934015
10-[3-[5-[(3aS,8bR)-3a,4,4,5,7,8b-hexamethylindeno[1,2-d][1,3]oxazol-2-yl]-2,4-dimethylbenzene-6-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butylpyrido[3,2-b][1,4]benzoxazine;platinum(2+)
CID 170934039
(4R)-2-[3-tert-butyl-5-[3-(6-tert-butyl-4-methylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4-cyclohexyl-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170935611
(3aS,7aS)-2-[3-tert-butyl-5-[3,6-dimethyl-2-(6-phenylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3a,7a-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;platinum(2+)
CID 170934543
(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 170935442
CID 170935442
(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 170934055
CID 170934055
9-[3-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
CID 170933264
(3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+)
CID 170932919
(3aS,9aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-6,7-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzoxazole;platinum(2+)
CID 170935564

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)?
The IUPAC name of (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+) (CID 170932547) is (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+).
What is the SMILES notation for (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)?
The canonical SMILES for (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+) is Cc1cc(Oc2[c-]c(C3=N[C@]4(C)CCCc5ccccc5[C@]4(C)O3)c(C)cc2C)[c-]c(-n2c3ccc(C(C)(C)C)cc3c3cccnc32)c1.[Pt+2].
What is the InChIKey of (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)?
The InChIKey is SGOTYTKIAHOXQZ-RTJQRGJSSA-N. The full InChI is InChI=1S/C44H43N3O2.Pt/c1-27-21-32(47-38-18-17-31(42(4,5)6)24-36(38)34-15-12-20-45-40(34)47)25-33(22-27)48-39-26-35(28(2)23-29(39)3)41-46-43(7)19-11-14-30-13-9-10-16-37(30)44(43,8)49-41;/h9-10,12-13,15-18,20-24H,11,14,19H2,1-8H3;/q-2;+2/t43-,44+;/m1./s1.
What are the key properties of (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)?
(2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+) has a molecular weight of 840.93 g/mol, XLogP of 10.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+) is sourced from PubChem (CID 170932547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).