9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium

C34H28Y-2 — CID 161215177

IUPAC9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium
SMILESCc1cc(C)cc(C)c1.[Y].[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C9H12.Y/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-7-4-8(2)6-9(3)5-7;/h1-11,13,15-18H;4-6H,1-3H3;/q-2;;
InChIKeyFMBBZWIAASADIL-UHFFFAOYSA-N
MW525.50 g/mol
LogP8.26
Rot. Bonds2

About 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium

9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium (PubChem CID 161215177) has the molecular formula C34H28Y-2 and a molecular weight of 525.50 g/mol. Its IUPAC name is 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium.

Molecular Properties

Compound Name9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium
PubChem CID161215177
Molecular FormulaC34H28Y-2
Molecular Weight525.50 g/mol
Exact Mass525.13
IUPAC Name9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium
SMILESCc1cc(C)cc(C)c1.[Y].[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C9H12.Y/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-7-4-8(2)6-9(3)5-7;/h1-11,13,15-18H;4-6H,1-3H3;/q-2;;
InChIKeyFMBBZWIAASADIL-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.50
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

potassium 9,9-di(phenyl)fluorene
CID 164818801
1,3-diethyl-5-propylbenzene;14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;yttrium
CID 159907168
bromomethane;carbanide;bis(N,N-dimethylmethanamine);pentakis(14,14-di(phenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene);methanamine;N-methylmethanamine;pentakis(tungsten(2+));bis(yttrium)
CID 161042439
CID 58607554
CID 58607554
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
1',3'-dimethyl-9,9'-spirobi[fluorene]
CID 169054935
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
CID 159307684
2-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]fluoren-9-yl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
CID 58142146
4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)
CID 155614478
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191

Frequently Asked Questions

What is the IUPAC name of 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium?
The IUPAC name of 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium (CID 161215177) is 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium.
What is the SMILES notation for 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium?
The canonical SMILES for 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium is Cc1cc(C)cc(C)c1.[Y].[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium?
The InChIKey is FMBBZWIAASADIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C9H12.Y/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-7-4-8(2)6-9(3)5-7;/h1-11,13,15-18H;4-6H,1-3H3;/q-2;;.
What are the key properties of 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium?
9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium has a molecular weight of 525.50 g/mol, XLogP of 8.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium is sourced from PubChem (CID 161215177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).