2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum

C49H46N3O2Pt- — CID 164727776

IUPAC2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c(-c3ccccc3O)c3c(c2)CC2(Cc4ccccc4C2)C3)nc(-n2c3ccc(C4CCCCC4)cc3c3cccnc32)c1.[Pt]
InChIInChI=1S/C49H46N3O2.Pt/c1-48(2,3)36-24-45(52-43-20-19-32(31-12-5-4-6-13-31)23-41(43)39-17-11-21-50-47(39)52)51-46(25-36)54-37-22-35-29-49(27-33-14-7-8-15-34(33)28-49)30-42(35)40(26-37)38-16-9-10-18-44(38)53;/h7-11,14-25,31,53H,4-6,12-13,27-30H2,1-3H3;/q-1;
InChIKeyBHKUADPACZDNJM-UHFFFAOYSA-N
MW904.00 g/mol
LogP11.77
Rot. Bonds5

About 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum

2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum (PubChem CID 164727776) has the molecular formula C49H46N3O2Pt- and a molecular weight of 904.00 g/mol. Its IUPAC name is 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum.

Molecular Properties

Compound Name2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum
PubChem CID164727776
Molecular FormulaC49H46N3O2Pt-
Molecular Weight904.00 g/mol
Exact Mass903.32
IUPAC Name2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c(-c3ccccc3O)c3c(c2)CC2(Cc4ccccc4C2)C3)nc(-n2c3ccc(C4CCCCC4)cc3c3cccnc32)c1.[Pt]
InChIInChI=1S/C49H46N3O2.Pt/c1-48(2,3)36-24-45(52-43-20-19-32(31-12-5-4-6-13-31)23-41(43)39-17-11-21-50-47(39)52)51-46(25-36)54-37-22-35-29-49(27-33-14-7-8-15-34(33)28-49)30-42(35)40(26-37)38-16-9-10-18-44(38)53;/h7-11,14-25,31,53H,4-6,12-13,27-30H2,1-3H3;/q-1;
InChIKeyBHKUADPACZDNJM-UHFFFAOYSA-N
XLogP11.77
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.00
LogP ≤ 511.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
CID 164823529
6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)
CID 164727497
4-tert-butyl-2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
CID 164823470
9-[4-(2,6-dimethylphenyl)-6-(6'-phenylspiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl)oxy-2-pyridinyl]pyrido[2,3-b]indole;platinum(2+)
CID 164727485
4-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]-8-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-13-ol;platinum
CID 168720964
6-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]-9,9-dimethyl-4,5-dihydro-[1]benzosilolo[2,3-b]pyridine-4,5-diide;platinum(2+)
CID 168721010
2-[[9-(4-cyclopentyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4,5-diphenylquinolin-8-ol;platinum
CID 176605949
2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum
CID 153280372
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 164713676
platinum;2-[3-(9-pyridin-2-ylpyrido[2,3-b]indol-2-yl)oxybenzene-2-id-1-yl]phenol
CID 164823448
3-tert-butyl-7-cyclohexyl-1-fluoronaphthalene
CID 168802913
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylpyrido[2,3-b]indol-6-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 168803373

Frequently Asked Questions

What is the IUPAC name of 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum?
The IUPAC name of 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum (CID 164727776) is 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum.
What is the SMILES notation for 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum?
The canonical SMILES for 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum is CC(C)(C)c1cc(Oc2[c-]c(-c3ccccc3O)c3c(c2)CC2(Cc4ccccc4C2)C3)nc(-n2c3ccc(C4CCCCC4)cc3c3cccnc32)c1.[Pt].
What is the InChIKey of 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum?
The InChIKey is BHKUADPACZDNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H46N3O2.Pt/c1-48(2,3)36-24-45(52-43-20-19-32(31-12-5-4-6-13-31)23-41(43)39-17-11-21-50-47(39)52)51-46(25-36)54-37-22-35-29-49(27-33-14-7-8-15-34(33)28-49)30-42(35)40(26-37)38-16-9-10-18-44(38)53;/h7-11,14-25,31,53H,4-6,12-13,27-30H2,1-3H3;/q-1;.
What are the key properties of 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum?
2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum has a molecular weight of 904.00 g/mol, XLogP of 11.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum is sourced from PubChem (CID 164727776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).