1,11-bis(prop-1-en-2-yl)chrysene

C24H20 — CID 175153714

IUPAC1,11-bis(prop-1-en-2-yl)chrysene
SMILESC=C(C)c1cccc2c1cc(C(=C)C)c1c3ccccc3ccc21
InChIInChI=1S/C24H20/c1-15(2)18-10-7-11-20-21-13-12-17-8-5-6-9-19(17)24(21)22(16(3)4)14-23(18)20/h5-14H,1,3H2,2,4H3
InChIKeyLARHKQIZBVSJGV-UHFFFAOYSA-N
MW308.42 g/mol
LogP7.21
Rot. Bonds2

About 1,11-bis(prop-1-en-2-yl)chrysene

1,11-bis(prop-1-en-2-yl)chrysene (PubChem CID 175153714) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1,11-bis(prop-1-en-2-yl)chrysene.

Molecular Properties

Compound Name1,11-bis(prop-1-en-2-yl)chrysene
PubChem CID175153714
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name1,11-bis(prop-1-en-2-yl)chrysene
SMILESC=C(C)c1cccc2c1cc(C(=C)C)c1c3ccccc3ccc21
InChIInChI=1S/C24H20/c1-15(2)18-10-7-11-20-21-13-12-17-8-5-6-9-19(17)24(21)22(16(3)4)14-23(18)20/h5-14H,1,3H2,2,4H3
InChIKeyLARHKQIZBVSJGV-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 57.21
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

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154

Frequently Asked Questions

What is the IUPAC name of 1,11-bis(prop-1-en-2-yl)chrysene?
The IUPAC name of 1,11-bis(prop-1-en-2-yl)chrysene (CID 175153714) is 1,11-bis(prop-1-en-2-yl)chrysene.
What is the SMILES notation for 1,11-bis(prop-1-en-2-yl)chrysene?
The canonical SMILES for 1,11-bis(prop-1-en-2-yl)chrysene is C=C(C)c1cccc2c1cc(C(=C)C)c1c3ccccc3ccc21.
What is the InChIKey of 1,11-bis(prop-1-en-2-yl)chrysene?
The InChIKey is LARHKQIZBVSJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-15(2)18-10-7-11-20-21-13-12-17-8-5-6-9-19(17)24(21)22(16(3)4)14-23(18)20/h5-14H,1,3H2,2,4H3.
What are the key properties of 1,11-bis(prop-1-en-2-yl)chrysene?
1,11-bis(prop-1-en-2-yl)chrysene has a molecular weight of 308.42 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-bis(prop-1-en-2-yl)chrysene is sourced from PubChem (CID 175153714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).