3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium

C31H30Ti — CID 174651733

IUPAC3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium
SMILESCc1cc(C)c(-c2ccc3c(c2)-c2cc(-c4c(C)cc(C)cc4C)ccc2C3)c(C)c1.[Ti]
InChIInChI=1S/C31H30.Ti/c1-18-11-20(3)30(21(4)12-18)26-9-7-24-15-25-8-10-27(17-29(25)28(24)16-26)31-22(5)13-19(2)14-23(31)6;/h7-14,16-17H,15H2,1-6H3;
InChIKeyYRBCXJHVACBBJX-UHFFFAOYSA-N
MW450.45 g/mol
LogP8.44
Rot. Bonds2

About 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium

3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium (PubChem CID 174651733) has the molecular formula C31H30Ti and a molecular weight of 450.45 g/mol. Its IUPAC name is 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium.

Molecular Properties

Compound Name3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium
PubChem CID174651733
Molecular FormulaC31H30Ti
Molecular Weight450.45 g/mol
Exact Mass450.18
IUPAC Name3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium
SMILESCc1cc(C)c(-c2ccc3c(c2)-c2cc(-c4c(C)cc(C)cc4C)ccc2C3)c(C)c1.[Ti]
InChIInChI=1S/C31H30.Ti/c1-18-11-20(3)30(21(4)12-18)26-9-7-24-15-25-8-10-27(17-29(25)28(24)16-26)31-22(5)13-19(2)14-23(31)6;/h7-14,16-17H,15H2,1-6H3;
InChIKeyYRBCXJHVACBBJX-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
CID 175636434
3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
1,3,6-trimethyl-9H-fluorene
CID 59560956
4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline
CID 174895808
3,6-bis(2,4,6-trimethylphenyl)-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;methylbenzene;methylidenetitanium;dihydrochloride
CID 87146508
1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene
CID 173283840
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2-(4-iodophenyl)-1,3,5-trimethylbenzene
CID 71396711
5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole
CID 177091641
9,9-dimethyl-2-(2,4,6-trimethylphenyl)fluorene
CID 176635457
2-(3,4-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665788
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
CID 143848174

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium?
The IUPAC name of 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium (CID 174651733) is 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium.
What is the SMILES notation for 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium?
The canonical SMILES for 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium is Cc1cc(C)c(-c2ccc3c(c2)-c2cc(-c4c(C)cc(C)cc4C)ccc2C3)c(C)c1.[Ti].
What is the InChIKey of 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium?
The InChIKey is YRBCXJHVACBBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30.Ti/c1-18-11-20(3)30(21(4)12-18)26-9-7-24-15-25-8-10-27(17-29(25)28(24)16-26)31-22(5)13-19(2)14-23(31)6;/h7-14,16-17H,15H2,1-6H3;.
What are the key properties of 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium?
3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium has a molecular weight of 450.45 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium is sourced from PubChem (CID 174651733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).