2,7-bis(prop-1-en-2-yl)pyrene

C22H18 — CID 162639886

IUPAC2,7-bis(prop-1-en-2-yl)pyrene
SMILESC=C(C)c1cc2ccc3cc(C(=C)C)cc4ccc(c1)c2c34
InChIInChI=1S/C22H18/c1-13(2)19-9-15-5-7-17-11-20(14(3)4)12-18-8-6-16(10-19)21(15)22(17)18/h5-12H,1,3H2,2,4H3
InChIKeyBXAXYHIEJOYACN-UHFFFAOYSA-N
MW282.39 g/mol
LogP6.65
Rot. Bonds2

About 2,7-bis(prop-1-en-2-yl)pyrene

2,7-bis(prop-1-en-2-yl)pyrene (PubChem CID 162639886) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,7-bis(prop-1-en-2-yl)pyrene.

Molecular Properties

Compound Name2,7-bis(prop-1-en-2-yl)pyrene
PubChem CID162639886
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name2,7-bis(prop-1-en-2-yl)pyrene
SMILESC=C(C)c1cc2ccc3cc(C(=C)C)cc4ccc(c1)c2c34
InChIInChI=1S/C22H18/c1-13(2)19-9-15-5-7-17-11-20(14(3)4)12-18-8-6-16(10-19)21(15)22(17)18/h5-12H,1,3H2,2,4H3
InChIKeyBXAXYHIEJOYACN-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3,5-bis(prop-1-en-2-yl)benzene
CID 142935126
1,3,5-tris[3,5-bis(prop-1-en-2-yl)phenyl]benzene
CID 101246721
1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen
CID 163256290
3,6-bis(prop-1-en-2-yl)-9H-fluorene
CID 91033866
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
CID 175020259
CID 175020259
2-prop-1-en-2-yltriphenylene
CID 142551751

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(prop-1-en-2-yl)pyrene?
The IUPAC name of 2,7-bis(prop-1-en-2-yl)pyrene (CID 162639886) is 2,7-bis(prop-1-en-2-yl)pyrene.
What is the SMILES notation for 2,7-bis(prop-1-en-2-yl)pyrene?
The canonical SMILES for 2,7-bis(prop-1-en-2-yl)pyrene is C=C(C)c1cc2ccc3cc(C(=C)C)cc4ccc(c1)c2c34.
What is the InChIKey of 2,7-bis(prop-1-en-2-yl)pyrene?
The InChIKey is BXAXYHIEJOYACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-13(2)19-9-15-5-7-17-11-20(14(3)4)12-18-8-6-16(10-19)21(15)22(17)18/h5-12H,1,3H2,2,4H3.
What are the key properties of 2,7-bis(prop-1-en-2-yl)pyrene?
2,7-bis(prop-1-en-2-yl)pyrene has a molecular weight of 282.39 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(prop-1-en-2-yl)pyrene is sourced from PubChem (CID 162639886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).