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

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-tert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162449104) has the molecular formula C67H61N4OPt-3 and a molecular weight of 1133.33 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-tert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name	2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-tert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID	162449104
Molecular Formula	C67H61N4OPt-3
Molecular Weight	1133.33 g/mol
Exact Mass	1132.45
IUPAC Name	2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-tert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILES	CC(C)(C)c1ccc2c(c1)N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)ccc1)[CH-]N2c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1.[Pt]
InChI	InChI=1S/C67H61N4O.Pt/c1-64(2,3)49-32-35-60-62(41-49)69(45-70(60)54-39-51(66(6,7)47-24-15-11-16-25-47)38-52(40-54)67(8,9)48-26-17-12-18-27-48)53-28-21-29-55(43-53)72-56-33-34-58-57-30-19-20-31-59(57)71(61(58)44-56)63-42-50(36-37-68-63)65(4,5)46-22-13-10-14-23-46;/h10-42,45H,1-9H3;/q-3;
InChIKey	RRKCZBIDUUZLIH-UHFFFAOYSA-N
XLogP	17.25
TPSA	33.53 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	73
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1133.33
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-tert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162449104) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-tert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-tert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc2c(c1)N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)ccc1)[CH-]N2c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1.[Pt].

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

The InChIKey is RRKCZBIDUUZLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H61N4O.Pt/c1-64(2,3)49-32-35-60-62(41-49)69(45-70(60)54-39-51(66(6,7)47-24-15-11-16-25-47)38-52(40-54)67(8,9)48-26-17-12-18-27-48)53-28-21-29-55(43-53)72-56-33-34-58-57-30-19-20-31-59(57)71(61(58)44-56)63-42-50(36-37-68-63)65(4,5)46-22-13-10-14-23-46;/h10-42,45H,1-9H3;/q-3;.

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-tert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1133.33 g/mol, XLogP of 17.25, 11 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]-6-tert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).