1,10-bis(hept-6-enyl)anthracene

C28H34 — CID 122392053

IUPAC1,10-bis(hept-6-enyl)anthracene
SMILESC=CCCCCCc1cccc2c(CCCCCC=C)c3ccccc3cc12
InChIInChI=1S/C28H34/c1-3-5-7-9-11-16-23-18-15-21-27-26(20-12-10-8-6-4-2)25-19-14-13-17-24(25)22-28(23)27/h3-4,13-15,17-19,21-22H,1-2,5-12,16,20H2
InChIKeyVLMRNRWPZMMBQQ-UHFFFAOYSA-N
MW370.58 g/mol
LogP8.57
Rot. Bonds12

About 1,10-bis(hept-6-enyl)anthracene

1,10-bis(hept-6-enyl)anthracene (PubChem CID 122392053) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1,10-bis(hept-6-enyl)anthracene.

Molecular Properties

Compound Name1,10-bis(hept-6-enyl)anthracene
PubChem CID122392053
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1,10-bis(hept-6-enyl)anthracene
SMILESC=CCCCCCc1cccc2c(CCCCCC=C)c3ccccc3cc12
InChIInChI=1S/C28H34/c1-3-5-7-9-11-16-23-18-15-21-27-26(20-12-10-8-6-4-2)25-19-14-13-17-24(25)22-28(23)27/h3-4,13-15,17-19,21-22H,1-2,5-12,16,20H2
InChIKeyVLMRNRWPZMMBQQ-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,10-bis(hept-6-enyl)anthracene 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

1-non-8-enylnaphthalene
CID 101304361
4-hex-5-enylisochromen-3-one
CID 10680863
1-methyl-2-oct-7-enylbenzene
CID 18786509
1,2,3-trioctylnaphthalene
CID 20513034
1-[(E)-henicos-19-enyl]naphthalene
CID 101307754
1-[(E)-octadec-13-enyl]naphthalene
CID 101307634
1-[(E)-tetradec-11-enyl]naphthalene
CID 101307515
1-[(E)-icos-9-enyl]naphthalene
CID 101307696
1-[(E)-heptadec-10-enyl]naphthalene
CID 101307596
1-[(E)-pentadec-7-enyl]naphthalene
CID 101307533
1-[(E)-undec-6-enyl]naphthalene
CID 101304389
1-hex-5-enyl-2-propylbenzene
CID 18786540

Frequently Asked Questions

What is the IUPAC name of 1,10-bis(hept-6-enyl)anthracene?
The IUPAC name of 1,10-bis(hept-6-enyl)anthracene (CID 122392053) is 1,10-bis(hept-6-enyl)anthracene.
What is the SMILES notation for 1,10-bis(hept-6-enyl)anthracene?
The canonical SMILES for 1,10-bis(hept-6-enyl)anthracene is C=CCCCCCc1cccc2c(CCCCCC=C)c3ccccc3cc12.
What is the InChIKey of 1,10-bis(hept-6-enyl)anthracene?
The InChIKey is VLMRNRWPZMMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-3-5-7-9-11-16-23-18-15-21-27-26(20-12-10-8-6-4-2)25-19-14-13-17-24(25)22-28(23)27/h3-4,13-15,17-19,21-22H,1-2,5-12,16,20H2.
What are the key properties of 1,10-bis(hept-6-enyl)anthracene?
1,10-bis(hept-6-enyl)anthracene has a molecular weight of 370.58 g/mol, XLogP of 8.57, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis(hept-6-enyl)anthracene is sourced from PubChem (CID 122392053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).