9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene

C38H34 — CID 101154376

IUPAC9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene
SMILESC1=CC(C(c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)C=C1C1CC2CCC1C2
InChIInChI=1S/C38H34/c1-3-11-29(12-4-1)38(30-13-5-2-6-14-30,31-22-21-28(25-31)36-24-26-19-20-27(36)23-26)37-34-17-9-7-15-32(34)33-16-8-10-18-35(33)37/h1-18,21-22,25-27,31,36-37H,19-20,23-24H2
InChIKeyFUERCCIFMGSQBE-UHFFFAOYSA-N
MW490.69 g/mol
LogP9.33
Rot. Bonds5

About 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene

9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene (PubChem CID 101154376) has the molecular formula C38H34 and a molecular weight of 490.69 g/mol. Its IUPAC name is 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene.

Molecular Properties

Compound Name9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene
PubChem CID101154376
Molecular FormulaC38H34
Molecular Weight490.69 g/mol
Exact Mass490.27
IUPAC Name9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene
SMILESC1=CC(C(c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)C=C1C1CC2CCC1C2
InChIInChI=1S/C38H34/c1-3-11-29(12-4-1)38(30-13-5-2-6-14-30,31-22-21-28(25-31)36-24-26-19-20-27(36)23-26)37-34-17-9-7-15-32(34)33-16-8-10-18-35(33)37/h1-18,21-22,25-27,31,36-37H,19-20,23-24H2
InChIKeyFUERCCIFMGSQBE-UHFFFAOYSA-N
XLogP9.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene with MolForge

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Related Compounds

(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
CID 16687687
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
CID 67656139
CID 67656139
2-(2-tert-butyl-3-methylphenyl)bicyclo[2.2.1]heptane
CID 169322208
2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
CID 114246918
2,6-bis(2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 118566261
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene
CID 170895253
1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole
CID 122203491
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672

Frequently Asked Questions

What is the IUPAC name of 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene?
The IUPAC name of 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene (CID 101154376) is 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene.
What is the SMILES notation for 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene?
The canonical SMILES for 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene is C1=CC(C(c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)C=C1C1CC2CCC1C2.
What is the InChIKey of 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene?
The InChIKey is FUERCCIFMGSQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34/c1-3-11-29(12-4-1)38(30-13-5-2-6-14-30,31-22-21-28(25-31)36-24-26-19-20-27(36)23-26)37-34-17-9-7-15-32(34)33-16-8-10-18-35(33)37/h1-18,21-22,25-27,31,36-37H,19-20,23-24H2.
What are the key properties of 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene?
9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene has a molecular weight of 490.69 g/mol, XLogP of 9.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene is sourced from PubChem (CID 101154376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).