[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate

C33H26O4 — CID 77431190

IUPAC[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
SMILESCC=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=CC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H26O4/c1-3-9-31(34)36-25-19-15-23(16-20-25)33(24-17-21-26(22-18-24)37-32(35)10-4-2)29-13-7-5-11-27(29)28-12-6-8-14-30(28)33/h3-22H,1-2H3
InChIKeyZQDRIZIAIVDELZ-UHFFFAOYSA-N
MW486.57 g/mol
LogP7.01
Rot. Bonds6

About [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate

[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate (PubChem CID 77431190) has the molecular formula C33H26O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate.

Molecular Properties

Compound Name[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
PubChem CID77431190
Molecular FormulaC33H26O4
Molecular Weight486.57 g/mol
Exact Mass486.18
IUPAC Name[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
SMILESCC=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=CC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H26O4/c1-3-9-31(34)36-25-19-15-23(16-20-25)33(24-17-21-26(22-18-24)37-32(35)10-4-2)29-13-7-5-11-27(29)28-12-6-8-14-30(28)33/h3-22H,1-2H3
InChIKeyZQDRIZIAIVDELZ-UHFFFAOYSA-N
XLogP7.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[9-[4-(6-but-2-enoyloxyhexoxy)phenyl]fluoren-9-yl]phenoxy]hexyl but-2-enoate
CID 168867072
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
CID 68898007
methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
CID 89179982
[4-[9-[4-(3-methylbenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 3-methylbenzoate
CID 3091653
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate
CID 4034550
9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 155719011
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
bis(4-acetyloxyphenyl)-[9,9-bis(4-acetyloxyphenyl)fluoren-2-yl]sulfanium
CID 58320903
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3,5-diacetylbenzoate
CID 59331100

Frequently Asked Questions

What is the IUPAC name of [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate?
The IUPAC name of [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate (CID 77431190) is [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate.
What is the SMILES notation for [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate?
The canonical SMILES for [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate is CC=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=CC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate?
The InChIKey is ZQDRIZIAIVDELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O4/c1-3-9-31(34)36-25-19-15-23(16-20-25)33(24-17-21-26(22-18-24)37-32(35)10-4-2)29-13-7-5-11-27(29)28-12-6-8-14-30(28)33/h3-22H,1-2H3.
What are the key properties of [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate?
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate has a molecular weight of 486.57 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate is sourced from PubChem (CID 77431190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).