9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)

C46H56N4Pt — CID 170932569

IUPAC9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccc2c(c1)c1cc(C)c(-c3cc(C(C)(C)C)ccn3)[c-]c1n2-c1[c-]c(C2=N[C@H](C(C)(C)C)CN2C2CCCCC2)cc(C(C)(C)C)c1.[Pt+2]
InChIInChI=1S/C46H56N4.Pt/c1-29-17-18-40-37(21-29)38-22-30(2)36(39-26-32(19-20-47-39)44(3,4)5)27-41(38)50(40)35-24-31(23-33(25-35)45(6,7)8)43-48-42(46(9,10)11)28-49(43)34-15-13-12-14-16-34;/h17-23,25-26,34,42H,12-16,28H2,1-11H3;/q-2;+2/t42-;/m0./s1
InChIKeyMVNHZOSNWKBNDH-SSRBEJHDSA-N
MW860.06 g/mol
LogP11.47
Rot. Bonds4

About 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)

9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 170932569) has the molecular formula C46H56N4Pt and a molecular weight of 860.06 g/mol. Its IUPAC name is 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)
PubChem CID170932569
Molecular FormulaC46H56N4Pt
Molecular Weight860.06 g/mol
Exact Mass859.42
IUPAC Name9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccc2c(c1)c1cc(C)c(-c3cc(C(C)(C)C)ccn3)[c-]c1n2-c1[c-]c(C2=N[C@H](C(C)(C)C)CN2C2CCCCC2)cc(C(C)(C)C)c1.[Pt+2]
InChIInChI=1S/C46H56N4.Pt/c1-29-17-18-40-37(21-29)38-22-30(2)36(39-26-32(19-20-47-39)44(3,4)5)27-41(38)50(40)35-24-31(23-33(25-35)45(6,7)8)43-48-42(46(9,10)11)28-49(43)34-15-13-12-14-16-34;/h17-23,25-26,34,42H,12-16,28H2,1-11H3;/q-2;+2/t42-;/m0./s1
InChIKeyMVNHZOSNWKBNDH-SSRBEJHDSA-N
XLogP11.47
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.06
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aR,7aS)-2-[3-[2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-7a-methyl-4,5,6,7-tetrahydro-3aH-1,3-benzoxazole;platinum(2+)
CID 170934253
(3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[2-(4,6-ditert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,4-dideuterio-6,7,8b-trimethylindeno[1,2-d][1,3]oxazole;platinum(2+)
CID 170934317
6-tert-butyl-9-[9-[3-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]-5-propan-2-ylphenyl]-6-methylcarbazol-2-yl]pyrido[2,3-b]indole
CID 170935838
(4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170932821
CID 170935013
CID 170935013
(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)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170935480
CID 170935038
CID 170935038
CID 170932891
CID 170932891
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
2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+))
CID 159141977
(3aR,8bS)-5-tert-butyl-2-[3-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[2,1-d][1,3]thiazole;platinum(2+)
CID 170934628

Frequently Asked Questions

What is the IUPAC name of 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+) (CID 170932569) is 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+) is Cc1ccc2c(c1)c1cc(C)c(-c3cc(C(C)(C)C)ccn3)[c-]c1n2-c1[c-]c(C2=N[C@H](C(C)(C)C)CN2C2CCCCC2)cc(C(C)(C)C)c1.[Pt+2].
What is the InChIKey of 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is MVNHZOSNWKBNDH-SSRBEJHDSA-N. The full InChI is InChI=1S/C46H56N4.Pt/c1-29-17-18-40-37(21-29)38-22-30(2)36(39-26-32(19-20-47-39)44(3,4)5)27-41(38)50(40)35-24-31(23-33(25-35)45(6,7)8)43-48-42(46(9,10)11)28-49(43)34-15-13-12-14-16-34;/h17-23,25-26,34,42H,12-16,28H2,1-11H3;/q-2;+2/t42-;/m0./s1.
What are the key properties of 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)?
9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 860.06 g/mol, XLogP of 11.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 170932569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).