7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum

About 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum

7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum (PubChem CID 176781803) has the molecular formula C44H37N4OPtS-3 and a molecular weight of 864.95 g/mol. Its IUPAC name is 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum.

Molecular Properties

Compound Name	7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum
PubChem CID	176781803
Molecular Formula	C44H37N4OPtS-3
Molecular Weight	864.95 g/mol
Exact Mass	864.24
IUPAC Name	7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum
SMILES	CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C(C)(C)C)c6ccccc65)ccc4)c4c5ccccc5sc4c3c3ccccc32)c1.[Pt]
InChI	InChI=1S/C44H37N4OS.Pt/c1-43(2,3)28-22-23-45-39(24-28)48-33-18-9-7-16-31(33)40-36(48)26-37(41-32-17-8-12-21-38(32)50-42(40)41)49-30-15-13-14-29(25-30)46-27-47(44(4,5)6)35-20-11-10-19-34(35)46;/h7-24,27H,1-6H3;/q-3;
InChIKey	JDTDZXRNAFZDFM-UHFFFAOYSA-N
XLogP	12.11
TPSA	33.53 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	864.95
LogP ≤ 5	12.11
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 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum?

The IUPAC name of 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum (CID 176781803) is 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum.

What is the SMILES notation for 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum?

The canonical SMILES for 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C(C)(C)C)c6ccccc65)ccc4)c4c5ccccc5sc4c3c3ccccc32)c1.[Pt].

What is the InChIKey of 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum?

The InChIKey is JDTDZXRNAFZDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N4OS.Pt/c1-43(2,3)28-22-23-45-39(24-28)48-33-18-9-7-16-31(33)40-36(48)26-37(41-32-17-8-12-21-38(32)50-42(40)41)49-30-15-13-14-29(25-30)46-27-47(44(4,5)6)35-20-11-10-19-34(35)46;/h7-24,27H,1-6H3;/q-3;.

What are the key properties of 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum?

7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum has a molecular weight of 864.95 g/mol, XLogP of 12.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum is sourced from PubChem (CID 176781803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).