2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum

C35H21N4OPt-3 — CID 153285512

IUPAC2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum
SMILESCn1ccnc1-c1[c-]c(-c2[c-]c(-n3c4[c-]c(-c5nc6ccccc6o5)ccc4c4ccccc43)ccc2)ccc1.[Pt]
InChIInChI=1S/C35H21N4O.Pt/c1-38-19-18-36-34(38)25-10-6-8-23(20-25)24-9-7-11-27(21-24)39-31-14-4-2-12-28(31)29-17-16-26(22-32(29)39)35-37-30-13-3-5-15-33(30)40-35;/h2-19H,1H3;/q-3;
InChIKeyNQOJCMLLVVXOKU-UHFFFAOYSA-N
MW708.66 g/mol
LogP8.06
Rot. Bonds4

About 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum

2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum (PubChem CID 153285512) has the molecular formula C35H21N4OPt-3 and a molecular weight of 708.66 g/mol. Its IUPAC name is 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum.

Molecular Properties

Compound Name2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum
PubChem CID153285512
Molecular FormulaC35H21N4OPt-3
Molecular Weight708.66 g/mol
Exact Mass708.14
IUPAC Name2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum
SMILESCn1ccnc1-c1[c-]c(-c2[c-]c(-n3c4[c-]c(-c5nc6ccccc6o5)ccc4c4ccccc43)ccc2)ccc1.[Pt]
InChIInChI=1S/C35H21N4O.Pt/c1-38-19-18-36-34(38)25-10-6-8-23(20-25)24-9-7-11-27(21-24)39-31-14-4-2-12-28(31)29-17-16-26(22-32(29)39)35-37-30-13-3-5-15-33(30)40-35;/h2-19H,1H3;/q-3;
InChIKeyNQOJCMLLVVXOKU-UHFFFAOYSA-N
XLogP8.06
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.66
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum?
The IUPAC name of 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum (CID 153285512) is 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum.
What is the SMILES notation for 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum?
The canonical SMILES for 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum is Cn1ccnc1-c1[c-]c(-c2[c-]c(-n3c4[c-]c(-c5nc6ccccc6o5)ccc4c4ccccc43)ccc2)ccc1.[Pt].
What is the InChIKey of 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum?
The InChIKey is NQOJCMLLVVXOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N4O.Pt/c1-38-19-18-36-34(38)25-10-6-8-23(20-25)24-9-7-11-27(21-24)39-31-14-4-2-12-28(31)29-17-16-26(22-32(29)39)35-37-30-13-3-5-15-33(30)40-35;/h2-19H,1H3;/q-3;.
What are the key properties of 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum?
2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum has a molecular weight of 708.66 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum is sourced from PubChem (CID 153285512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).