9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum

About 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum

9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum (PubChem CID 176782377) has the molecular formula C44H37N4O2Pt-3 and a molecular weight of 848.88 g/mol. Its IUPAC name is 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum.

Molecular Properties

Compound Name	9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum
PubChem CID	176782377
Molecular Formula	C44H37N4O2Pt-3
Molecular Weight	848.88 g/mol
Exact Mass	848.26
IUPAC Name	9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum
SMILES	CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C(C)(C)C)c6ccccc65)ccc4)ccc3c3cc4c(cc32)oc2ccccc24)c1.[Pt]
InChI	InChI=1S/C44H37N4O2.Pt/c1-43(2,3)28-20-21-45-42(22-28)48-38-24-31(18-19-32(38)34-25-35-33-14-7-10-17-40(33)50-41(35)26-39(34)48)49-30-13-11-12-29(23-30)46-27-47(44(4,5)6)37-16-9-8-15-36(37)46;/h7-22,25-27H,1-6H3;/q-3;
InChIKey	QTGNMOQDIPBFSY-UHFFFAOYSA-N
XLogP	11.64
TPSA	46.67 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	51
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.88
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum?

The IUPAC name of 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum (CID 176782377) is 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum.

What is the SMILES notation for 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum?

The canonical SMILES for 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C(C)(C)C)c6ccccc65)ccc4)ccc3c3cc4c(cc32)oc2ccccc24)c1.[Pt].

What is the InChIKey of 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum?

The InChIKey is QTGNMOQDIPBFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N4O2.Pt/c1-43(2,3)28-20-21-45-42(22-28)48-38-24-31(18-19-32(38)34-25-35-33-14-7-10-17-40(33)50-41(35)26-39(34)48)49-30-13-11-12-29(23-30)46-27-47(44(4,5)6)37-16-9-8-15-36(37)46;/h7-22,25-27H,1-6H3;/q-3;.

What are the key properties of 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum?

9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum has a molecular weight of 848.88 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7-(4-tert-butyl-2-pyridinyl)-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum is sourced from PubChem (CID 176782377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).