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

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

2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172531155) has the molecular formula C56H45F2N4OPt-3 and a molecular weight of 1023.08 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name	2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
PubChem CID	172531155
Molecular Formula	C56H45F2N4OPt-3
Molecular Weight	1023.08 g/mol
Exact Mass	1022.32
IUPAC Name	2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILES	CC(C)(C)c1ccc(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)[c-]c(N3[CH-]N(c4ccccc4-c4cc(F)cc(F)c4)c4ccccc43)c2)cc1.[Pt]
InChI	InChI=1S/C56H45F2N4O.Pt/c1-55(2,3)39-21-19-36(20-22-39)37-29-43(60-35-61(52-18-12-11-17-51(52)60)49-15-9-7-13-46(49)38-27-41(57)32-42(58)28-38)33-45(30-37)63-44-23-24-48-47-14-8-10-16-50(47)62(53(48)34-44)54-31-40(25-26-59-54)56(4,5)6;/h7-32,35H,1-6H3;/q-3;
InChIKey	PXMLCTFMUTXWOF-UHFFFAOYSA-N
XLogP	15.19
TPSA	33.53 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	64
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.08
LogP ≤ 5	15.19
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-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172531155) is 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)[c-]c(N3[CH-]N(c4ccccc4-c4cc(F)cc(F)c4)c4ccccc43)c2)cc1.[Pt].

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

The InChIKey is PXMLCTFMUTXWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45F2N4O.Pt/c1-55(2,3)39-21-19-36(20-22-39)37-29-43(60-35-61(52-18-12-11-17-51(52)60)49-15-9-7-13-46(49)38-27-41(57)32-42(58)28-38)33-45(30-37)63-44-23-24-48-47-14-8-10-16-50(47)62(53(48)34-44)54-31-40(25-26-59-54)56(4,5)6;/h7-32,35H,1-6H3;/q-3;.

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

2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1023.08 g/mol, XLogP of 15.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).