5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate

C50H48O4 — CID 134419462

IUPAC5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCC1(CCCCCOC(=O)C=C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C)cc4)c4ccccc34)cc21
InChIInChI=1S/C50H48O4/c1-4-46(51)53-32-16-6-14-30-50(31-15-7-17-33-54-47(52)5-2)44-23-13-12-18-38(44)39-29-28-37(34-45(39)50)49-42-21-10-8-19-40(42)48(36-26-24-35(3)25-27-36)41-20-9-11-22-43(41)49/h4-5,8-13,18-29,34H,1-2,6-7,14-17,30-33H2,3H3
InChIKeyHXPGIJLHZFLQII-UHFFFAOYSA-N
MW712.93 g/mol
LogP12.48
Rot. Bonds16

About 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate

5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate (PubChem CID 134419462) has the molecular formula C50H48O4 and a molecular weight of 712.93 g/mol. Its IUPAC name is 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate.

Molecular Properties

Compound Name5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate
PubChem CID134419462
Molecular FormulaC50H48O4
Molecular Weight712.93 g/mol
Exact Mass712.36
IUPAC Name5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCC1(CCCCCOC(=O)C=C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C)cc4)c4ccccc34)cc21
InChIInChI=1S/C50H48O4/c1-4-46(51)53-32-16-6-14-30-50(31-15-7-17-33-54-47(52)5-2)44-23-13-12-18-38(44)39-29-28-37(34-45(39)50)49-42-21-10-8-19-40(42)48(36-26-24-35(3)25-27-36)41-20-9-11-22-43(41)49/h4-5,8-13,18-29,34H,1-2,6-7,14-17,30-33H2,3H3
InChIKeyHXPGIJLHZFLQII-UHFFFAOYSA-N
XLogP12.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.93
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

5-[2-(10-methylanthracen-9-yl)-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate
CID 134419448
[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
5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate
CID 118652531
4-[2-[10-(3-methylphenyl)anthracen-9-yl]-9-[4-(2-methylprop-2-enoyloxy)butyl]fluoren-9-yl]butyl 2-methylprop-2-enoate
CID 134419461
3-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]propyl prop-2-enoate
CID 118652517
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate
CID 118652620
[4-[10-[4-(9,9-dihexylfluorene-2-carbonyl)phenyl]anthracen-9-yl]phenyl]-(9,9-dihexylfluoren-2-yl)methanone
CID 102418466
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718
3-[2,7-dibromo-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]propyl prop-2-enoate
CID 86606152
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955

Frequently Asked Questions

What is the IUPAC name of 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate?
The IUPAC name of 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate (CID 134419462) is 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate.
What is the SMILES notation for 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate?
The canonical SMILES for 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate is C=CC(=O)OCCCCCC1(CCCCCOC(=O)C=C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C)cc4)c4ccccc34)cc21.
What is the InChIKey of 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate?
The InChIKey is HXPGIJLHZFLQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48O4/c1-4-46(51)53-32-16-6-14-30-50(31-15-7-17-33-54-47(52)5-2)44-23-13-12-18-38(44)39-29-28-37(34-45(39)50)49-42-21-10-8-19-40(42)48(36-26-24-35(3)25-27-36)41-20-9-11-22-43(41)49/h4-5,8-13,18-29,34H,1-2,6-7,14-17,30-33H2,3H3.
What are the key properties of 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate?
5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate has a molecular weight of 712.93 g/mol, XLogP of 12.48, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate is sourced from PubChem (CID 134419462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).