4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene

C30H22 — CID 144791949

IUPAC4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene
SMILESC=Cc1cccc2c1c(=C)c(=C)c1c2ccc2c3cccc(C=C)c3c(=C)c(=C)c21
InChIInChI=1S/C30H22/c1-7-21-11-9-13-23-25-15-16-26-24-14-10-12-22(8-2)28(24)18(4)20(6)30(26)29(25)19(5)17(3)27(21)23/h7-16H,1-6H2
InChIKeyPNRGSNXIGAFUNR-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.23
Rot. Bonds2

About 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene

4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene (PubChem CID 144791949) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene.

Molecular Properties

Compound Name4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene
PubChem CID144791949
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene
SMILESC=Cc1cccc2c1c(=C)c(=C)c1c2ccc2c3cccc(C=C)c3c(=C)c(=C)c21
InChIInChI=1S/C30H22/c1-7-21-11-9-13-23-25-15-16-26-24-14-10-12-22(8-2)28(24)18(4)20(6)30(26)29(25)19(5)17(3)27(21)23/h7-16H,1-6H2
InChIKeyPNRGSNXIGAFUNR-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.23
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

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Frequently Asked Questions

What is the IUPAC name of 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene?
The IUPAC name of 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene (CID 144791949) is 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene.
What is the SMILES notation for 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene?
The canonical SMILES for 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene is C=Cc1cccc2c1c(=C)c(=C)c1c2ccc2c3cccc(C=C)c3c(=C)c(=C)c21.
What is the InChIKey of 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene?
The InChIKey is PNRGSNXIGAFUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-7-21-11-9-13-23-25-15-16-26-24-14-10-12-22(8-2)28(24)18(4)20(6)30(26)29(25)19(5)17(3)27(21)23/h7-16H,1-6H2.
What are the key properties of 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene?
4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene has a molecular weight of 382.51 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene is sourced from PubChem (CID 144791949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).