2-[3-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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 172534205) has the molecular formula C57H56FN4OPt-3 and a molecular weight of 1027.18 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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	172534205
Molecular Formula	C57H56FN4OPt-3
Molecular Weight	1027.18 g/mol
Exact Mass	1026.41
IUPAC Name	2-[3-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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	Cc1cc(F)cc(-c2cc(C(C)C)c(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)cc(C(C)(C)C)c4)c4ccccc43)c(C(C)C)c2)c1.[Pt]
InChI	InChI=1S/C57H56FN4O.Pt/c1-35(2)48-27-39(38-24-37(5)25-42(58)26-38)28-49(36(3)4)55(48)61-34-60(51-18-14-15-19-52(51)61)43-29-41(57(9,10)11)30-45(32-43)63-44-20-21-47-46-16-12-13-17-50(46)62(53(47)33-44)54-31-40(22-23-59-54)56(6,7)8;/h12-31,34-36H,1-11H3;/q-3;
InChIKey	ACKOYKVONACEOQ-UHFFFAOYSA-N
XLogP	15.93
TPSA	33.53 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	64
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.18
LogP ≤ 5	15.93
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-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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 172534205) is 2-[3-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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 Cc1cc(F)cc(-c2cc(C(C)C)c(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)cc(C(C)(C)C)c4)c4ccccc43)c(C(C)C)c2)c1.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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 ACKOYKVONACEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H56FN4O.Pt/c1-35(2)48-27-39(38-24-37(5)25-42(58)26-38)28-49(36(3)4)55(48)61-34-60(51-18-14-15-19-52(51)61)43-29-41(57(9,10)11)30-45(32-43)63-44-20-21-47-46-16-12-13-17-50(46)62(53(47)33-44)54-31-40(22-23-59-54)56(6,7)8;/h12-31,34-36H,1-11H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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 1027.18 g/mol, XLogP of 15.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-[4-(3-fluoro-5-methylphenyl)-2,6-di(propan-2-yl)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 172534205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).