2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

About 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 164742249) has the molecular formula C51H50N3OPt- and a molecular weight of 916.06 g/mol. Its IUPAC name is 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name	2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
PubChem CID	164742249
Molecular Formula	C51H50N3OPt-
Molecular Weight	916.06 g/mol
Exact Mass	915.36
IUPAC Name	2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
SMILES	CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3cccc(C(C)(C)C)c3O)n2)[c-]c(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccccn2)c1.[Pt]
InChI	InChI=1S/C51H50N3O.Pt/c1-49(2,3)40-30-37(45-32-36(35-18-11-9-12-19-35)33-46(53-45)43-22-17-23-44(48(43)55)50(4,5)6)31-42(34-40)54(47-24-15-16-29-52-47)41-27-25-39(26-28-41)51(7,8)38-20-13-10-14-21-38;/h9-30,32-34,55H,1-8H3;/q-1;
InChIKey	UIRBQYCVEHHCCQ-UHFFFAOYSA-N
XLogP	13.37
TPSA	49.25 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	56
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.06
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 164742249) is 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3cccc(C(C)(C)C)c3O)n2)[c-]c(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccccn2)c1.[Pt].

What is the InChIKey of 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The InChIKey is UIRBQYCVEHHCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50N3O.Pt/c1-49(2,3)40-30-37(45-32-36(35-18-11-9-12-19-35)33-46(53-45)43-22-17-23-44(48(43)55)50(4,5)6)31-42(34-40)54(47-24-15-16-29-52-47)41-27-25-39(26-28-41)51(7,8)38-20-13-10-14-21-38;/h9-30,32-34,55H,1-8H3;/q-1;.

What are the key properties of 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 916.06 g/mol, XLogP of 13.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164742249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).