carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+)

C44H42O2Ti — CID 59317541

IUPACcarbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+)
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccccc1)c2O.CC1(C)c2ccccc2-c2cc(-c3ccccc3O)ccc21.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/2C21H18O.2CH3.Ti/c1-21(2)18-9-5-3-8-16(18)17-13-14(11-12-19(17)21)15-7-4-6-10-20(15)22;1-21(2)17-11-7-6-10-16(17)19-18(21)13-12-15(20(19)22)14-8-4-3-5-9-14;;;/h2*3-13,22H,1-2H3;2*1H3;/q;;2*-1;+2
InChIKeyMIZMEJUVXYENRL-UHFFFAOYSA-N
MW650.69 g/mol
LogP11.63
Rot. Bonds2

About carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+)

carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+) (PubChem CID 59317541) has the molecular formula C44H42O2Ti and a molecular weight of 650.69 g/mol. Its IUPAC name is carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+).

Molecular Properties

Compound Namecarbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+)
PubChem CID59317541
Molecular FormulaC44H42O2Ti
Molecular Weight650.69 g/mol
Exact Mass650.27
IUPAC Namecarbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+)
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccccc1)c2O.CC1(C)c2ccccc2-c2cc(-c3ccccc3O)ccc21.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/2C21H18O.2CH3.Ti/c1-21(2)18-9-5-3-8-16(18)17-13-14(11-12-19(17)21)15-7-4-6-10-20(15)22;1-21(2)17-11-7-6-10-16(17)19-18(21)13-12-15(20(19)22)14-8-4-3-5-9-14;;;/h2*3-13,22H,1-2H3;2*1H3;/q;;2*-1;+2
InChIKeyMIZMEJUVXYENRL-UHFFFAOYSA-N
XLogP11.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.69
LogP ≤ 511.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6,9,9-trimethylfluoren-3-yl)phenol
CID 59317538
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
1,6-bis(9,9-dimethylfluoren-3-yl)-3,8-bis[4-(4-phenylphenyl)phenyl]pyrene
CID 156675142
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
CID 174327262
9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
CID 171447304
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427313
9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
CID 142294556
7-(9,9-dimethylfluoren-2-yl)-10-phenylfluoranthene
CID 170668000

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+)?
The IUPAC name of carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+) (CID 59317541) is carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+).
What is the SMILES notation for carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+)?
The canonical SMILES for carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+) is CC1(C)c2ccccc2-c2c1ccc(-c1ccccc1)c2O.CC1(C)c2ccccc2-c2cc(-c3ccccc3O)ccc21.[CH3-].[CH3-].[Ti+2].
What is the InChIKey of carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+)?
The InChIKey is MIZMEJUVXYENRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18O.2CH3.Ti/c1-21(2)18-9-5-3-8-16(18)17-13-14(11-12-19(17)21)15-7-4-6-10-20(15)22;1-21(2)17-11-7-6-10-16(17)19-18(21)13-12-15(20(19)22)14-8-4-3-5-9-14;;;/h2*3-13,22H,1-2H3;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+)?
carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+) has a molecular weight of 650.69 g/mol, XLogP of 11.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(9,9-dimethylfluoren-3-yl)phenol;9,9-dimethyl-3-phenylfluoren-4-ol;titanium(2+) is sourced from PubChem (CID 59317541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).