1-(1,1,2,2-tetraphenylethyl)-9H-fluorene

C39H30 — CID 151581060

IUPAC1-(1,1,2,2-tetraphenylethyl)-9H-fluorene
SMILESc1ccc(C(c2ccccc2)C(c2ccccc2)(c2ccccc2)c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C39H30/c1-5-16-29(17-6-1)38(30-18-7-2-8-19-30)39(32-21-9-3-10-22-32,33-23-11-4-12-24-33)37-27-15-26-35-34-25-14-13-20-31(34)28-36(35)37/h1-27,38H,28H2
InChIKeyQGMQVALOFVVNBH-UHFFFAOYSA-N
MW498.67 g/mol
LogP9.42
Rot. Bonds6

About 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene

1-(1,1,2,2-tetraphenylethyl)-9H-fluorene (PubChem CID 151581060) has the molecular formula C39H30 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene.

Molecular Properties

Compound Name1-(1,1,2,2-tetraphenylethyl)-9H-fluorene
PubChem CID151581060
Molecular FormulaC39H30
Molecular Weight498.67 g/mol
Exact Mass498.23
IUPAC Name1-(1,1,2,2-tetraphenylethyl)-9H-fluorene
SMILESc1ccc(C(c2ccccc2)C(c2ccccc2)(c2ccccc2)c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C39H30/c1-5-16-29(17-6-1)38(30-18-7-2-8-19-30)39(32-21-9-3-10-22-32,33-23-11-4-12-24-33)37-27-15-26-35-34-25-14-13-20-31(34)28-36(35)37/h1-27,38H,28H2
InChIKeyQGMQVALOFVVNBH-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol
CID 151044510
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1-(2,2,2-triphenylethyl)-9H-fluorene
CID 151369525
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
CID 123562270
CID 123562270
Fluorenylsilane
CID 22104606
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
1,3-ditert-butyl-9H-fluorene
CID 175163483
1,1-bis(9H-fluoren-1-yl)ethyl carbamate
CID 151505188

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene?
The IUPAC name of 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene (CID 151581060) is 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene.
What is the SMILES notation for 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene?
The canonical SMILES for 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene is c1ccc(C(c2ccccc2)C(c2ccccc2)(c2ccccc2)c2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene?
The InChIKey is QGMQVALOFVVNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30/c1-5-16-29(17-6-1)38(30-18-7-2-8-19-30)39(32-21-9-3-10-22-32,33-23-11-4-12-24-33)37-27-15-26-35-34-25-14-13-20-31(34)28-36(35)37/h1-27,38H,28H2.
What are the key properties of 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene?
1-(1,1,2,2-tetraphenylethyl)-9H-fluorene has a molecular weight of 498.67 g/mol, XLogP of 9.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetraphenylethyl)-9H-fluorene is sourced from PubChem (CID 151581060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).