9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 155651968) has the molecular formula C49H39N4OPt-3 and a molecular weight of 894.96 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name	9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID	155651968
Molecular Formula	C49H39N4OPt-3
Molecular Weight	894.96 g/mol
Exact Mass	894.28
IUPAC Name	9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILES	Cc1cc(-c2ccccc2)ccc1N1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(-c3ccccc3)c2)[CH-]1.[Pt]
InChI	InChI=1S/C49H39N4O.Pt/c1-34-27-37(35-13-7-5-8-14-35)19-22-45(34)52-26-25-51(33-52)40-28-38(36-15-9-6-10-16-36)29-42(31-40)54-41-20-21-44-43-17-11-12-18-46(43)53(47(44)32-41)48-30-39(23-24-50-48)49(2,3)4;/h5-30,33H,1-4H3;/q-3;
InChIKey	FRGGIMXXDVZECQ-UHFFFAOYSA-N
XLogP	12.43
TPSA	33.53 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	55
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.96
LogP ≤ 5	12.43
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 155651968) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cc(-c2ccccc2)ccc1N1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(-c3ccccc3)c2)[CH-]1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is FRGGIMXXDVZECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N4O.Pt/c1-34-27-37(35-13-7-5-8-14-35)19-22-45(34)52-26-25-51(33-52)40-28-38(36-15-9-6-10-16-36)29-42(31-40)54-41-20-21-44-43-17-11-12-18-46(43)53(47(44)32-41)48-30-39(23-24-50-48)49(2,3)4;/h5-30,33H,1-4H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 894.96 g/mol, XLogP of 12.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155651968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).