carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)

C27H33OTi — CID 59270074

IUPACcarbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)
SMILESCC(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(O)c1.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C24H24O.3CH3.Ti/c1-15(2)16-9-11-18(23(25)14-16)17-10-12-20-19-7-5-6-8-21(19)24(3,4)22(20)13-17;;;;/h5-15,25H,1-4H3;3*1H3;/q;3*-1;+3
InChIKeyXWNOABRUPRDERB-UHFFFAOYSA-N
MW421.43 g/mol
LogP7.84
Rot. Bonds2

About carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)

carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+) (PubChem CID 59270074) has the molecular formula C27H33OTi and a molecular weight of 421.43 g/mol. Its IUPAC name is carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+).

Molecular Properties

Compound Namecarbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)
PubChem CID59270074
Molecular FormulaC27H33OTi
Molecular Weight421.43 g/mol
Exact Mass421.20
IUPAC Namecarbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)
SMILESCC(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(O)c1.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C24H24O.3CH3.Ti/c1-15(2)16-9-11-18(23(25)14-16)17-10-12-20-19-7-5-6-8-21(19)24(3,4)22(20)13-17;;;;/h5-15,25H,1-4H3;3*1H3;/q;3*-1;+3
InChIKeyXWNOABRUPRDERB-UHFFFAOYSA-N
XLogP7.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.43
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline
CID 121282910
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene
CID 140710796
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
CID 140584073
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline
CID 59307898
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)?
The IUPAC name of carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+) (CID 59270074) is carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+).
What is the SMILES notation for carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)?
The canonical SMILES for carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+) is CC(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(O)c1.[CH3-].[CH3-].[CH3-].[Ti+3].
What is the InChIKey of carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)?
The InChIKey is XWNOABRUPRDERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O.3CH3.Ti/c1-15(2)16-9-11-18(23(25)14-16)17-10-12-20-19-7-5-6-8-21(19)24(3,4)22(20)13-17;;;;/h5-15,25H,1-4H3;3*1H3;/q;3*-1;+3.
What are the key properties of carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)?
carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+) has a molecular weight of 421.43 g/mol, XLogP of 7.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+) is sourced from PubChem (CID 59270074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).