2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum

C50H34N3OPt- — CID 162783144

IUPAC2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum
SMILES[2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)c4c(c3)C(c3ccccc3)c3ccccc3-4)c2)cc1.[Pt]
InChIInChI=1S/C50H34N3O.Pt/c1-32-23-25-33(26-24-32)35-27-28-51-44(31-35)36-29-42(48-39-18-9-8-17-38(39)47(43(48)30-36)34-13-4-2-5-14-34)40-20-12-21-45-49(40)52-50(41-19-10-11-22-46(41)54)53(45)37-15-6-3-7-16-37;/h2-28,30-31,47,54H,1H3;/q-1;/i1D3;
InChIKeyDOHURTDJHZBQIT-NIIDSAIPSA-N
MW890.94 g/mol
LogP12.06
Rot. Bonds7

About 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum

2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 162783144) has the molecular formula C50H34N3OPt- and a molecular weight of 890.94 g/mol. Its IUPAC name is 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID162783144
Molecular FormulaC50H34N3OPt-
Molecular Weight890.94 g/mol
Exact Mass890.25
IUPAC Name2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum
SMILES[2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)c4c(c3)C(c3ccccc3)c3ccccc3-4)c2)cc1.[Pt]
InChIInChI=1S/C50H34N3O.Pt/c1-32-23-25-33(26-24-32)35-27-28-51-44(31-35)36-29-42(48-39-18-9-8-17-38(39)47(43(48)30-36)34-13-4-2-5-14-34)40-20-12-21-45-49(40)52-50(41-19-10-11-22-46(41)54)53(45)37-15-6-3-7-16-37;/h2-28,30-31,47,54H,1H3;/q-1;/i1D3;
InChIKeyDOHURTDJHZBQIT-NIIDSAIPSA-N
XLogP12.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.94
LogP ≤ 512.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 162782778
2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 162783641
2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
CID 153482356
2-[1-[3-phenyl-4,5-bis(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153477786
2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dimethyl-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]phenol;platinum
CID 164713475
2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
CID 153479869
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]benzimidazol-2-yl]-6-phenylphenol;platinum
CID 164713344
3-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-phenylbenzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum
CID 163652210
2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 162783991
2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153480139
2-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153482280
2-[4-[9,9-dimethyl-3-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[1-phenyl-4-[9-phenyl-3-(4-phenyl-2-pyridinyl)-2,9-dihydrofluoren-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-phenyl-4-[2-(4-phenyl-2-pyridinyl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-dibenzofuran-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 163779846

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum (CID 162783144) is 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)c4c(c3)C(c3ccccc3)c3ccccc3-4)c2)cc1.[Pt].
What is the InChIKey of 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is DOHURTDJHZBQIT-NIIDSAIPSA-N. The full InChI is InChI=1S/C50H34N3O.Pt/c1-32-23-25-33(26-24-32)35-27-28-51-44(31-35)36-29-42(48-39-18-9-8-17-38(39)47(43(48)30-36)34-13-4-2-5-14-34)40-20-12-21-45-49(40)52-50(41-19-10-11-22-46(41)54)53(45)37-15-6-3-7-16-37;/h2-28,30-31,47,54H,1H3;/q-1;/i1D3;.
What are the key properties of 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum?
2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 890.94 g/mol, XLogP of 12.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-4-[9-phenyl-2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3,9-dihydrofluoren-3-id-4-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).