4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum

C41H38N3OPt- — CID 58850581

IUPAC4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum
SMILESCCC(CC(C)c1ccc(O)cc1)n1c2ccccc2c2ccccc21.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.[Pt]
InChIInChI=1S/C24H25NO.C17H13N2.Pt/c1-3-19(16-17(2)18-12-14-20(26)15-13-18)25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25;1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;/h4-15,17,19,26H,3,16H2,1-2H3;2-11H,1H3;/q;-1;
InChIKeySRXDZPOCXIVVTI-UHFFFAOYSA-N
MW783.85 g/mol
LogP10.56
Rot. Bonds7

About 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum

4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum (PubChem CID 58850581) has the molecular formula C41H38N3OPt- and a molecular weight of 783.85 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum.

Molecular Properties

Compound Name4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum
PubChem CID58850581
Molecular FormulaC41H38N3OPt-
Molecular Weight783.85 g/mol
Exact Mass783.27
IUPAC Name4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum
SMILESCCC(CC(C)c1ccc(O)cc1)n1c2ccccc2c2ccccc21.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.[Pt]
InChIInChI=1S/C24H25NO.C17H13N2.Pt/c1-3-19(16-17(2)18-12-14-20(26)15-13-18)25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25;1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;/h4-15,17,19,26H,3,16H2,1-2H3;2-11H,1H3;/q;-1;
InChIKeySRXDZPOCXIVVTI-UHFFFAOYSA-N
XLogP10.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.85
LogP ≤ 510.56
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

DIM-C-pPhOH
CID 2940609
4-[5-(1H-indol-2-yl)-3-pyridinyl]phenol
CID 44585327
3-[1-[9-[4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl]nonyl]piperidin-4-yl]-1H-indol-5-ol
CID 44533102
4-(3-{[2-(1H-indol-3-yl)ethyl]amino}-1-phenylpropyl)phenol
CID 45488956
1-[4-[5-Hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 127051417
3,3'-((3-Hydroxylphenyl)methylene)bis(1h-indole)
CID 46237894
3-[3-(Diethylaminomethyl)-1-octylindol-5-yl]phenol
CID 72198181
4-[4-[2-[2-(1-methylindol-5-yl)-1H-indol-3-yl]ethylamino]butyl]phenol
CID 44365250
4-[bis(5-iodo-1H-indol-3-yl)methyl]phenol
CID 72196384
4-[[4-(6-Indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol
CID 118729065
4-[[4-(8-Indol-1-yloctylamino)piperidin-1-yl]methyl]phenol
CID 118729066
1-[8-[5-Hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]octyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 127048958

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
The IUPAC name of 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum (CID 58850581) is 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum.
What is the SMILES notation for 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
The canonical SMILES for 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum is CCC(CC(C)c1ccc(O)cc1)n1c2ccccc2c2ccccc21.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.[Pt].
What is the InChIKey of 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
The InChIKey is SRXDZPOCXIVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO.C17H13N2.Pt/c1-3-19(16-17(2)18-12-14-20(26)15-13-18)25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25;1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;/h4-15,17,19,26H,3,16H2,1-2H3;2-11H,1H3;/q;-1;.
What are the key properties of 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum has a molecular weight of 783.85 g/mol, XLogP of 10.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylhexan-2-yl)phenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum is sourced from PubChem (CID 58850581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).