(4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)

C42H40N4OPt — CID 170934803

IUPAC(4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)
SMILES[2H]C([2H])([2H])[C@]1(C)COC(c2[c-]c(-n3c4[c-]c(-n5c6ccc(C(C)(C)C)cc6c6cccnc65)ccc4c4cc(C)ccc43)cc(C(C)C)c2)=N1.[Pt+2]
InChIInChI=1S/C42H40N4O.Pt/c1-25(2)27-19-28(40-44-42(7,8)24-47-40)21-31(20-27)45-36-15-11-26(3)18-34(36)32-14-13-30(23-38(32)45)46-37-16-12-29(41(4,5)6)22-35(37)33-10-9-17-43-39(33)46;/h9-20,22,25H,24H2,1-8H3;/q-2;+2/i7D3;/t42-;/m0./s1
InChIKeyCLALMHDEYDWVAT-XWTVVHGGSA-N
MW814.91 g/mol
LogP10.16
Rot. Bonds5

About (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)

(4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+) (PubChem CID 170934803) has the molecular formula C42H40N4OPt and a molecular weight of 814.91 g/mol. Its IUPAC name is (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+).

Molecular Properties

Compound Name(4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)
PubChem CID170934803
Molecular FormulaC42H40N4OPt
Molecular Weight814.91 g/mol
Exact Mass814.30
IUPAC Name(4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)
SMILES[2H]C([2H])([2H])[C@]1(C)COC(c2[c-]c(-n3c4[c-]c(-n5c6ccc(C(C)(C)C)cc6c6cccnc65)ccc4c4cc(C)ccc43)cc(C(C)C)c2)=N1.[Pt+2]
InChIInChI=1S/C42H40N4O.Pt/c1-25(2)27-19-28(40-44-42(7,8)24-47-40)21-31(20-27)45-36-15-11-26(3)18-34(36)32-14-13-30(23-38(32)45)46-37-16-12-29(41(4,5)6)22-35(37)33-10-9-17-43-39(33)46;/h9-20,22,25H,24H2,1-8H3;/q-2;+2/i7D3;/t42-;/m0./s1
InChIKeyCLALMHDEYDWVAT-XWTVVHGGSA-N
XLogP10.16
TPSA44.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.91
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+) with MolForge

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Related Compounds

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]-4,4-dimethyl-5H-1,3-oxazole;platinum(2+)
CID 170933227
(3aR,6aS)-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole;platinum(2+)
CID 170933834
9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
CID 170934702
(4R)-4-tert-butyl-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]-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170933817
(4R)-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]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170933676
(1S,9R)-11-[3-tert-butyl-5-[6-methyl-2-(6-phenylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-5,6,9,19-tetramethyl-14-propan-2-yl-10,12-diazapentacyclo[10.8.0.01,9.03,8.013,18]icosa-3(8),4,6,10,13(18),14,16-heptaene;platinum(2+)
CID 170935560
(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
(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
9-[9-[3-[(5R)-3-(3,5-ditert-butylphenyl)-5-(2,4-dimethylpentan-3-yl)-5-methyl-4H-imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-3,6-dimethyl-1H-carbazol-1-id-2-yl]-6-phenylpyrido[2,3-b]indole;platinum(2+)
CID 170934458
(3aR,9aS)-3a,4,4,5,7-pentamethyl-2-[6-methyl-2-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]-3H-pyridin-3-id-4-yl]-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+)
CID 170932492
(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
CID 170932323
(3aS,8bR)-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]-4,4-dideuterio-3a,8b-dimethylindeno[1,2-d][1,3]oxazole;platinum(2+)
CID 170933447

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)?
The IUPAC name of (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+) (CID 170934803) is (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+).
What is the SMILES notation for (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)?
The canonical SMILES for (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+) is [2H]C([2H])([2H])[C@]1(C)COC(c2[c-]c(-n3c4[c-]c(-n5c6ccc(C(C)(C)C)cc6c6cccnc65)ccc4c4cc(C)ccc43)cc(C(C)C)c2)=N1.[Pt+2].
What is the InChIKey of (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)?
The InChIKey is CLALMHDEYDWVAT-XWTVVHGGSA-N. The full InChI is InChI=1S/C42H40N4O.Pt/c1-25(2)27-19-28(40-44-42(7,8)24-47-40)21-31(20-27)45-36-15-11-26(3)18-34(36)32-14-13-30(23-38(32)45)46-37-16-12-29(41(4,5)6)22-35(37)33-10-9-17-43-39(33)46;/h9-20,22,25H,24H2,1-8H3;/q-2;+2/i7D3;/t42-;/m0./s1.
What are the key properties of (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)?
(4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+) has a molecular weight of 814.91 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170934803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).