1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene

C39H28 — CID 141254702

IUPAC1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
SMILESc1ccc(C(c2ccccc2)(c2cccc3c2Cc2ccccc2-3)c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C39H28/c1-3-15-29(16-4-1)39(30-17-5-2-6-18-30,37-23-11-21-33-31-19-9-7-13-27(31)25-35(33)37)38-24-12-22-34-32-20-10-8-14-28(32)26-36(34)38/h1-24H,25-26H2
InChIKeyMBMTUFSQIMFRRE-UHFFFAOYSA-N
MW496.65 g/mol
LogP9.21
Rot. Bonds4

About 1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene

1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene (PubChem CID 141254702) has the molecular formula C39H28 and a molecular weight of 496.65 g/mol. Its IUPAC name is 1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene.

Molecular Properties

Compound Name1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
PubChem CID141254702
Molecular FormulaC39H28
Molecular Weight496.65 g/mol
Exact Mass496.22
IUPAC Name1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
SMILESc1ccc(C(c2ccccc2)(c2cccc3c2Cc2ccccc2-3)c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C39H28/c1-3-15-29(16-4-1)39(30-17-5-2-6-18-30,37-23-11-21-33-31-19-9-7-13-27(31)25-35(33)37)38-24-12-22-34-32-20-10-8-14-28(32)26-36(34)38/h1-24H,25-26H2
InChIKeyMBMTUFSQIMFRRE-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 59.21
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-(1,1,2,2-tetraphenylethyl)-9H-fluorene
CID 151581060
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
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
CID 123562270
CID 123562270
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
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-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene?
The IUPAC name of 1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene (CID 141254702) is 1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene.
What is the SMILES notation for 1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene?
The canonical SMILES for 1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene is c1ccc(C(c2ccccc2)(c2cccc3c2Cc2ccccc2-3)c2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene?
The InChIKey is MBMTUFSQIMFRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28/c1-3-15-29(16-4-1)39(30-17-5-2-6-18-30,37-23-11-21-33-31-19-9-7-13-27(31)25-35(33)37)38-24-12-22-34-32-20-10-8-14-28(32)26-36(34)38/h1-24H,25-26H2.
What are the key properties of 1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene?
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene has a molecular weight of 496.65 g/mol, XLogP of 9.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene is sourced from PubChem (CID 141254702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).