2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+)

C73H74N4OPt — CID 162447370

About 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+)

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+) (PubChem CID 162447370) has the molecular formula C73H74N4OPt and a molecular weight of 1218.50 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+).

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+)
• PubChem CID: 162447370
• Molecular Formula: C73H74N4OPt
• Molecular Weight: 1218.50 g/mol
• Exact Mass: 1217.55
• IUPAC Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+)
• SMILES: Cc1cc2c(cc1C)N(c1cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(-c2c(C(C)C)cccc2C(C)C)c1.[CH3-].[Pt+4]
• InChI: InChI=1S/C72H71N4O.CH3.Pt/c1-46(2)60-28-22-29-61(47(3)4)69(60)50-37-56(43-59(38-50)77-58-31-32-63-62-27-20-21-30-64(62)76(65(63)44-58)68-42-53(33-34-73-68)70(7,8)9)74-45-75(67-36-49(6)48(5)35-66(67)74)57-40-54(71(10,11)51-23-16-14-17-24-51)39-55(41-57)72(12,13)52-25-18-15-19-26-52;;/h14-42,45-47H,1-13H3;1H3;/q-3;-1;+4
• InChIKey: MNOGHUTWTUVGHD-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1218.50
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+)?

The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+) (CID 162447370) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+).

What is the SMILES notation for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+)?

The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+) is Cc1cc2c(cc1C)N(c1cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(-c2c(C(C)C)cccc2C(C)C)c1.[CH3-].[Pt+4].

What is the InChIKey of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+)?

The InChIKey is MNOGHUTWTUVGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H71N4O.CH3.Pt/c1-46(2)60-28-22-29-61(47(3)4)69(60)50-37-56(43-59(38-50)77-58-31-32-63-62-27-20-21-30-64(62)76(65(63)44-58)68-42-53(33-34-73-68)70(7,8)9)74-45-75(67-36-49(6)48(5)35-66(67)74)57-40-54(71(10,11)51-23-16-14-17-24-51)39-55(41-57)72(12,13)52-25-18-15-19-26-52;;/h14-42,45-47H,1-13H3;1H3;/q-3;-1;+4.

What are the key properties of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+)?

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+) has a molecular weight of 1218.50 g/mol, XLogP of 19.91, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum(4+) is sourced from PubChem (CID 162447370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).