9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (PubChem CID 162448926) has the molecular formula C72H76N4OPt-2 and a molecular weight of 1208.50 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name	9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
PubChem CID	162448926
Molecular Formula	C72H76N4OPt-2
Molecular Weight	1208.50 g/mol
Exact Mass	1207.57
IUPAC Name	9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
SMILES	CC(C)(C)c1cc(-c2ccccc2)cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(C(C)(C)c6ccccc6)c4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)c4ccccc4)c3)c(C(C)(C)C)c2C(C)(C)C)c1.[Pt]
InChI	InChI=1S/C72H76N4O.Pt/c1-67(2,3)52-36-37-73-63(43-52)76-61-35-27-26-34-59(61)64-60(72(15,16)51-32-24-19-25-33-51)45-58(46-62(64)76)77-57-42-54(71(13,14)50-30-22-18-23-31-50)41-56(44-57)75-47-74(65(69(7,8)9)66(75)70(10,11)12)55-39-49(48-28-20-17-21-29-48)38-53(40-55)68(4,5)6;/h17-43,45H,1-16H3;/q-2;
InChIKey	HWJUTKYDYXXPGX-UHFFFAOYSA-N
XLogP	17.95
TPSA	35.86 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	10
Heavy Atoms	78
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1208.50
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (CID 162448926) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2ccccc2)cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(C(C)(C)c6ccccc6)c4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)c4ccccc4)c3)c(C(C)(C)C)c2C(C)(C)C)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is HWJUTKYDYXXPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H76N4O.Pt/c1-67(2,3)52-36-37-73-63(43-52)76-61-35-27-26-34-59(61)64-60(72(15,16)51-32-24-19-25-33-51)45-58(46-62(64)76)77-57-42-54(71(13,14)50-30-22-18-23-31-50)41-56(44-57)75-47-74(65(69(7,8)9)66(75)70(10,11)12)55-39-49(48-28-20-17-21-29-48)38-53(40-55)68(4,5)6;/h17-43,45H,1-16H3;/q-2;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1208.50 g/mol, XLogP of 17.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).