2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+))

C129H174O4Ti4 — CID 159766206

IUPAC2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+))
SMILESCC(C)CC1(CC(C)C)c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccc3O)cc21.CCCC1(CC(C)C)c2ccccc2-c2ccc(-c3ccccc3O)cc21.Cc1cc(-c2ccc3c(c2)C(CC(C)C)(CC(C)C)c2ccccc2-3)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(-c2ccc3c(c2)C(CC(C)C)(CC(C)C)c2ccccc2-3)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti+3].[Ti+3].[Ti+3]
InChIInChI=1S/C32H40O.C31H38O.C28H32O.C26H28O.12CH3.4Ti/c1-20(2)18-32(19-21(3)4)27-12-10-9-11-24(27)25-14-13-23(17-28(25)32)26-15-22(5)16-29(30(26)33)31(6,7)8;1-20(2)18-31(19-21(3)4)27-11-9-8-10-24(27)25-14-12-22(16-28(25)31)26-17-23(30(5,6)7)13-15-29(26)32;1-18(2)16-28(17-19(3)4)25-9-7-6-8-22(25)23-12-11-21(15-26(23)28)24-14-20(5)10-13-27(24)29;1-4-15-26(17-18(2)3)23-11-7-5-10-21(23)22-14-13-19(16-24(22)26)20-9-6-8-12-25(20)27;;;;;;;;;;;;;;;;/h9-17,20-21,33H,18-19H2,1-8H3;8-17,20-21,32H,18-19H2,1-7H3;6-15,18-19,29H,16-17H2,1-5H3;5-14,16,18,27H,4,15,17H2,1-3H3;12*1H3;;;;/q;;;;12*-1;4*+3
InChIKeyDFJQAZXHMISOGX-UHFFFAOYSA-N
MW1980.27 g/mol
LogP38.03
Rot. Bonds20

About 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+))

2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+)) (PubChem CID 159766206) has the molecular formula C129H174O4Ti4 and a molecular weight of 1980.27 g/mol. Its IUPAC name is 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+)).

Molecular Properties

Compound Name2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+))
PubChem CID159766206
Molecular FormulaC129H174O4Ti4
Molecular Weight1980.27 g/mol
Exact Mass1979.13
IUPAC Name2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+))
SMILESCC(C)CC1(CC(C)C)c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccc3O)cc21.CCCC1(CC(C)C)c2ccccc2-c2ccc(-c3ccccc3O)cc21.Cc1cc(-c2ccc3c(c2)C(CC(C)C)(CC(C)C)c2ccccc2-3)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(-c2ccc3c(c2)C(CC(C)C)(CC(C)C)c2ccccc2-3)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti+3].[Ti+3].[Ti+3]
InChIInChI=1S/C32H40O.C31H38O.C28H32O.C26H28O.12CH3.4Ti/c1-20(2)18-32(19-21(3)4)27-12-10-9-11-24(27)25-14-13-23(17-28(25)32)26-15-22(5)16-29(30(26)33)31(6,7)8;1-20(2)18-31(19-21(3)4)27-11-9-8-10-24(27)25-14-12-22(16-28(25)31)26-17-23(30(5,6)7)13-15-29(26)32;1-18(2)16-28(17-19(3)4)25-9-7-6-8-22(25)23-12-11-21(15-26(23)28)24-14-20(5)10-13-27(24)29;1-4-15-26(17-18(2)3)23-11-7-5-10-21(23)22-14-13-19(16-24(22)26)20-9-6-8-12-25(20)27;;;;;;;;;;;;;;;;/h9-17,20-21,33H,18-19H2,1-8H3;8-17,20-21,32H,18-19H2,1-7H3;6-15,18-19,29H,16-17H2,1-5H3;5-14,16,18,27H,4,15,17H2,1-3H3;12*1H3;;;;/q;;;;12*-1;4*+3
InChIKeyDFJQAZXHMISOGX-UHFFFAOYSA-N
XLogP38.03
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001980.27
LogP ≤ 538.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+)) with MolForge

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Related Compounds

2-tert-butyl-4-methyl-6-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]phenol;carbanide;titanium(3+)
CID 59270151
carbanide;2-(9,9-dihexylfluoren-2-yl)-4-methylphenol;titanium(3+)
CID 59270117
2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene
CID 23568230
2-[9,9-bis(2-methylbutyl)-7-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]fluoren-2-yl]-7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028080
carbanide;2-(9,9-dipropylfluoren-2-yl)-6-propan-2-ylphenol;titanium(3+)
CID 59270133
2-tert-butyl-6-(9H-fluoren-2-yl)-4-methylphenol;carbanide;titanium(3+)
CID 59270156
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene
CID 89442381
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028072
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene
CID 143365607
2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
CID 100964700
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+))?
The IUPAC name of 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+)) (CID 159766206) is 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+)).
What is the SMILES notation for 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+))?
The canonical SMILES for 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+)) is CC(C)CC1(CC(C)C)c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccc3O)cc21.CCCC1(CC(C)C)c2ccccc2-c2ccc(-c3ccccc3O)cc21.Cc1cc(-c2ccc3c(c2)C(CC(C)C)(CC(C)C)c2ccccc2-3)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(-c2ccc3c(c2)C(CC(C)C)(CC(C)C)c2ccccc2-3)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti+3].[Ti+3].[Ti+3].
What is the InChIKey of 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+))?
The InChIKey is DFJQAZXHMISOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O.C31H38O.C28H32O.C26H28O.12CH3.4Ti/c1-20(2)18-32(19-21(3)4)27-12-10-9-11-24(27)25-14-13-23(17-28(25)32)26-15-22(5)16-29(30(26)33)31(6,7)8;1-20(2)18-31(19-21(3)4)27-11-9-8-10-24(27)25-14-12-22(16-28(25)31)26-17-23(30(5,6)7)13-15-29(26)32;1-18(2)16-28(17-19(3)4)25-9-7-6-8-22(25)23-12-11-21(15-26(23)28)24-14-20(5)10-13-27(24)29;1-4-15-26(17-18(2)3)23-11-7-5-10-21(23)22-14-13-19(16-24(22)26)20-9-6-8-12-25(20)27;;;;;;;;;;;;;;;;/h9-17,20-21,33H,18-19H2,1-8H3;8-17,20-21,32H,18-19H2,1-7H3;6-15,18-19,29H,16-17H2,1-5H3;5-14,16,18,27H,4,15,17H2,1-3H3;12*1H3;;;;/q;;;;12*-1;4*+3.
What are the key properties of 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+))?
2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+)) has a molecular weight of 1980.27 g/mol, XLogP of 38.03, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-6-tert-butyl-4-methylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-tert-butylphenol;2-[9,9-bis(2-methylpropyl)fluoren-2-yl]-4-methylphenol;carbanide;2-[9-(2-methylpropyl)-9-propylfluoren-2-yl]phenol;tetrakis(titanium(3+)) is sourced from PubChem (CID 159766206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).