5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate

C43H38O2 — CID 118652531

IUPAC5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C43H38O2/c1-4-40(44)45-27-13-5-6-14-29-21-23-30(24-22-29)41-34-16-7-9-18-36(34)42(37-19-10-8-17-35(37)41)31-25-26-33-32-15-11-12-20-38(32)43(2,3)39(33)28-31/h4,7-12,15-26,28H,1,5-6,13-14,27H2,2-3H3
InChIKeyLGCHIKRDLJHVQZ-UHFFFAOYSA-N
MW586.77 g/mol
LogP11.08
Rot. Bonds9

About 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate

5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate (PubChem CID 118652531) has the molecular formula C43H38O2 and a molecular weight of 586.77 g/mol. Its IUPAC name is 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate.

Molecular Properties

Compound Name5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate
PubChem CID118652531
Molecular FormulaC43H38O2
Molecular Weight586.77 g/mol
Exact Mass586.29
IUPAC Name5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C43H38O2/c1-4-40(44)45-27-13-5-6-14-29-21-23-30(24-22-29)41-34-16-7-9-18-36(34)42(37-19-10-8-17-35(37)41)31-25-26-33-32-15-11-12-20-38(32)43(2,3)39(33)28-31/h4,7-12,15-26,28H,1,5-6,13-14,27H2,2-3H3
InChIKeyLGCHIKRDLJHVQZ-UHFFFAOYSA-N
XLogP11.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.77
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-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

3-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]propyl prop-2-enoate
CID 118652517
5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate
CID 134419462
4-[9,9-dimethyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]butyl prop-2-enoate
CID 129041346
5-[2-(10-methylanthracen-9-yl)-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate
CID 134419448
4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]butyl prop-2-enoate
CID 118933480
5-[4-[4-(4-but-1-en-2-ylphenyl)-2,3-diphenylnaphthalen-1-yl]phenyl]pentyl prop-2-enoate
CID 118934471
[2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate
CID 118652615
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene
CID 20821930
9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
CID 58019447
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene
CID 20822097
[9,9-dimethyl-7-[3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoyloxy]fluoren-2-yl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate
CID 121311031

Frequently Asked Questions

What is the IUPAC name of 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate?
The IUPAC name of 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate (CID 118652531) is 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate.
What is the SMILES notation for 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate?
The canonical SMILES for 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate is C=CC(=O)OCCCCCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc23)cc1.
What is the InChIKey of 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate?
The InChIKey is LGCHIKRDLJHVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38O2/c1-4-40(44)45-27-13-5-6-14-29-21-23-30(24-22-29)41-34-16-7-9-18-36(34)42(37-19-10-8-17-35(37)41)31-25-26-33-32-15-11-12-20-38(32)43(2,3)39(33)28-31/h4,7-12,15-26,28H,1,5-6,13-14,27H2,2-3H3.
What are the key properties of 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate?
5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate has a molecular weight of 586.77 g/mol, XLogP of 11.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate is sourced from PubChem (CID 118652531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).