9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176781772) has the molecular formula C45H32N5OPtS-3 and a molecular weight of 885.93 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name	9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID	176781772
Molecular Formula	C45H32N5OPtS-3
Molecular Weight	885.93 g/mol
Exact Mass	885.20
IUPAC Name	9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILES	CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccc7c(c6)sc6ccccc67)c6cnccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
InChI	InChI=1S/C45H32N5OS.Pt/c1-45(2,3)29-19-22-47-44(23-29)50-38-13-6-4-11-34(38)35-18-16-33(26-40(35)50)51-32-10-8-9-30(24-32)48-28-49(41-27-46-21-20-39(41)48)31-15-17-37-36-12-5-7-14-42(36)52-43(37)25-31;/h4-23,25,27-28H,1-3H3;/q-3;
InChIKey	CAYQNWJWENORHP-UHFFFAOYSA-N
XLogP	12.04
TPSA	46.42 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	53
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.93
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176781772) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-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-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccc7c(c6)sc6ccccc67)c6cnccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is CAYQNWJWENORHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N5OS.Pt/c1-45(2,3)29-19-22-47-44(23-29)50-38-13-6-4-11-34(38)35-18-16-33(26-40(35)50)51-32-10-8-9-30(24-32)48-28-49(41-27-46-21-20-39(41)48)31-15-17-37-36-12-5-7-14-42(36)52-43(37)25-31;/h4-23,25,27-28H,1-3H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 885.93 g/mol, XLogP of 12.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzothiophen-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176781772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).