21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum

About 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum

21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum (PubChem CID 177095563) has the molecular formula C48H34N3OPt- and a molecular weight of 863.90 g/mol. Its IUPAC name is 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum.

Molecular Properties

Compound Name	21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum
PubChem CID	177095563
Molecular Formula	C48H34N3OPt-
Molecular Weight	863.90 g/mol
Exact Mass	863.24
IUPAC Name	21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum
SMILES	CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc(-c3cc4c5c6ccccc6ccc5n5c6ccccc6c(c3O)c45)n2)c1.[Pt]
InChI	InChI=1S/C48H34N3O.Pt/c1-48(2,3)34-25-32(24-33(26-34)41-27-31(22-23-49-41)29-12-5-4-6-13-29)39-17-11-18-40(50-39)37-28-38-44-35-15-8-7-14-30(35)20-21-43(44)51-42-19-10-9-16-36(42)45(46(38)51)47(37)52;/h4-23,25-28,52H,1-3H3;/q-1;
InChIKey	XLTVDTVCPQLXAX-UHFFFAOYSA-N
XLogP	12.25
TPSA	50.42 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	53
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.90
LogP ≤ 5	12.25
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 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum?

The IUPAC name of 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum (CID 177095563) is 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum.

What is the SMILES notation for 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum?

The canonical SMILES for 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc(-c3cc4c5c6ccccc6ccc5n5c6ccccc6c(c3O)c45)n2)c1.[Pt].

What is the InChIKey of 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum?

The InChIKey is XLTVDTVCPQLXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N3O.Pt/c1-48(2,3)34-25-32(24-33(26-34)41-27-31(22-23-49-41)29-12-5-4-6-13-29)39-17-11-18-40(50-39)37-28-38-44-35-15-8-7-14-30(35)20-21-43(44)51-42-19-10-9-16-36(42)45(46(38)51)47(37)52;/h4-23,25-28,52H,1-3H3;/q-1;.

What are the key properties of 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum?

21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum has a molecular weight of 863.90 g/mol, XLogP of 12.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum is sourced from PubChem (CID 177095563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).