2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene

C44H32 — CID 160605394

IUPAC2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene
SMILESC=Cc1ccc2cc3ccccc3cc2c1-c1ccccc1.C=Cc1ccccc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/2C22H16/c1-2-16-9-3-6-12-19(16)22-20-13-7-4-10-17(20)15-18-11-5-8-14-21(18)22;1-2-16-12-13-20-14-18-10-6-7-11-19(18)15-21(20)22(16)17-8-4-3-5-9-17/h2*2-15H,1H2
InChIKeyREUNMNKFFMUIIW-UHFFFAOYSA-N
MW560.74 g/mol
LogP12.61
Rot. Bonds4

About 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene

2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene (PubChem CID 160605394) has the molecular formula C44H32 and a molecular weight of 560.74 g/mol. Its IUPAC name is 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene.

Molecular Properties

Compound Name2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene
PubChem CID160605394
Molecular FormulaC44H32
Molecular Weight560.74 g/mol
Exact Mass560.25
IUPAC Name2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene
SMILESC=Cc1ccc2cc3ccccc3cc2c1-c1ccccc1.C=Cc1ccccc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/2C22H16/c1-2-16-9-3-6-12-19(16)22-20-13-7-4-10-17(20)15-18-11-5-8-14-21(18)22;1-2-16-12-13-20-14-18-10-6-7-11-19(18)15-21(20)22(16)17-8-4-3-5-9-17/h2*2-15H,1H2
InChIKeyREUNMNKFFMUIIW-UHFFFAOYSA-N
XLogP12.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethenylphenyl)anthracene
CID 19426140
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
1,2-diphenylpentacene
CID 22247158
5,12-bis(1-phenylnaphthalen-2-yl)tetracene
CID 123352239
1-tetracen-5-yltetracene
CID 91610936
2-ethenyl-1-methylhexacene
CID 143109680
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
1-(2,3-diphenylphenyl)anthracene
CID 151584978
9,10-di(anthracen-1-yl)anthracene
CID 58645093

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene?
The IUPAC name of 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene (CID 160605394) is 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene.
What is the SMILES notation for 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene?
The canonical SMILES for 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene is C=Cc1ccc2cc3ccccc3cc2c1-c1ccccc1.C=Cc1ccccc1-c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene?
The InChIKey is REUNMNKFFMUIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16/c1-2-16-9-3-6-12-19(16)22-20-13-7-4-10-17(20)15-18-11-5-8-14-21(18)22;1-2-16-12-13-20-14-18-10-6-7-11-19(18)15-21(20)22(16)17-8-4-3-5-9-17/h2*2-15H,1H2.
What are the key properties of 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene?
2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene has a molecular weight of 560.74 g/mol, XLogP of 12.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene is sourced from PubChem (CID 160605394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).