1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum

About 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum

1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum (PubChem CID 164731633) has the molecular formula C53H35N4OPt-3 and a molecular weight of 938.97 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum.

Molecular Properties

Compound Name	1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
PubChem CID	164731633
Molecular Formula	C53H35N4OPt-3
Molecular Weight	938.97 g/mol
Exact Mass	938.25
IUPAC Name	1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
SMILES	Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6c5ccc5ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
InChI	InChI=1S/C53H35N4O.Pt/c1-36-30-31-54-51(32-36)57-48-25-11-10-22-46(48)47-28-27-42(34-50(47)57)58-41-20-12-19-40(33-41)55-35-56(53-45-21-9-8-18-39(45)26-29-49(53)55)52-43(37-14-4-2-5-15-37)23-13-24-44(52)38-16-6-3-7-17-38;/h2-32,35H,1H3;/q-3;
InChIKey	TWFMHMWPKQWBNJ-UHFFFAOYSA-N
XLogP	13.77
TPSA	33.53 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	59
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.97
LogP ≤ 5	13.77
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 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum (CID 164731633) is 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6c5ccc5ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

The InChIKey is TWFMHMWPKQWBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N4O.Pt/c1-36-30-31-54-51(32-36)57-48-25-11-10-22-46(48)47-28-27-42(34-50(47)57)58-41-20-12-19-40(33-41)55-35-56(53-45-21-9-8-18-39(45)26-29-49(53)55)52-43(37-14-4-2-5-15-37)23-13-24-44(52)38-16-6-3-7-17-38;/h2-32,35H,1H3;/q-3;.

What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum has a molecular weight of 938.97 g/mol, XLogP of 13.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum is sourced from PubChem (CID 164731633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).