9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene

C33H26O — CID 170895253

IUPAC9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene
SMILESC=COc1cccc(C(c2ccccc2)(C2C=CC=C2)C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C33H26O/c1-2-34-27-18-12-17-26(23-27)33(25-15-6-7-16-25,24-13-4-3-5-14-24)32-30-21-10-8-19-28(30)29-20-9-11-22-31(29)32/h2-23,25,32H,1H2
InChIKeyORODDCFFIJGSMS-UHFFFAOYSA-N
MW438.57 g/mol
LogP8.05
Rot. Bonds6

About 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene

9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene (PubChem CID 170895253) has the molecular formula C33H26O and a molecular weight of 438.57 g/mol. Its IUPAC name is 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene.

Molecular Properties

Compound Name9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene
PubChem CID170895253
Molecular FormulaC33H26O
Molecular Weight438.57 g/mol
Exact Mass438.20
IUPAC Name9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene
SMILESC=COc1cccc(C(c2ccccc2)(C2C=CC=C2)C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C33H26O/c1-2-34-27-18-12-17-26(23-27)33(25-15-6-7-16-25,24-13-4-3-5-14-24)32-30-21-10-8-19-28(30)29-20-9-11-22-31(29)32/h2-23,25,32H,1H2
InChIKeyORODDCFFIJGSMS-UHFFFAOYSA-N
XLogP8.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene
CID 101371835
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672
9-(2-cyclopenta-2,4-dien-1-ylpent-4-en-2-yl)-9H-fluorene
CID 11385650
1-ethenoxy-3-(3-ethenoxyphenyl)benzene
CID 118354654
9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride
CID 161408642
9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937017
9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene
CID 159062487
ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene
CID 66741878
9-[(2-methyl-5-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937239
9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene
CID 101154376
2-(3-ethenoxyphenyl)acetic acid
CID 88995868
2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937279

Frequently Asked Questions

What is the IUPAC name of 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene?
The IUPAC name of 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene (CID 170895253) is 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene.
What is the SMILES notation for 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene?
The canonical SMILES for 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene is C=COc1cccc(C(c2ccccc2)(C2C=CC=C2)C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene?
The InChIKey is ORODDCFFIJGSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O/c1-2-34-27-18-12-17-26(23-27)33(25-15-6-7-16-25,24-13-4-3-5-14-24)32-30-21-10-8-19-28(30)29-20-9-11-22-31(29)32/h2-23,25,32H,1H2.
What are the key properties of 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene?
9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene has a molecular weight of 438.57 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene is sourced from PubChem (CID 170895253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).