6,13-dibenzylidenepentacene

C36H24 — CID 142681968

IUPAC6,13-dibenzylidenepentacene
SMILESC(c1ccccc1)=c1c2cc3ccccc3cc2c(=Cc2ccccc2)c2cc3ccccc3cc12
InChIInChI=1S/C36H24/c1-3-11-25(12-4-1)19-31-33-21-27-15-7-9-17-29(27)23-35(33)32(20-26-13-5-2-6-14-26)36-24-30-18-10-8-16-28(30)22-34(31)36/h1-24H/b31-19-,32-20+
InChIKeyAPSKHOXABFRUEM-QXLZFTBOSA-N
MW456.59 g/mol
LogP7.96
Rot. Bonds2

About 6,13-dibenzylidenepentacene

6,13-dibenzylidenepentacene (PubChem CID 142681968) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 6,13-dibenzylidenepentacene.

Molecular Properties

Compound Name6,13-dibenzylidenepentacene
PubChem CID142681968
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name6,13-dibenzylidenepentacene
SMILESC(c1ccccc1)=c1c2cc3ccccc3cc2c(=Cc2ccccc2)c2cc3ccccc3cc12
InChIInChI=1S/C36H24/c1-3-11-25(12-4-1)19-31-33-21-27-15-7-9-17-29(27)23-35(33)32(20-26-13-5-2-6-14-26)36-24-30-18-10-8-16-28(30)22-34(31)36/h1-24H/b31-19-,32-20+
InChIKeyAPSKHOXABFRUEM-QXLZFTBOSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 57.96
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

9,10-dibenzylidenephenanthrene
CID 135051601
anthracene;benzene;naphthalene
CID 142706236
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
(2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one
CID 102402209
9-benzylidene-2,7-dinaphthalen-1-ylfluorene
CID 141308479
12-phenyl-12-thioniapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155647565
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
1-[2-[(E)-2-phenylethenyl]phenyl]anthracene
CID 22052929
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141

Frequently Asked Questions

What is the IUPAC name of 6,13-dibenzylidenepentacene?
The IUPAC name of 6,13-dibenzylidenepentacene (CID 142681968) is 6,13-dibenzylidenepentacene.
What is the SMILES notation for 6,13-dibenzylidenepentacene?
The canonical SMILES for 6,13-dibenzylidenepentacene is C(c1ccccc1)=c1c2cc3ccccc3cc2c(=Cc2ccccc2)c2cc3ccccc3cc12.
What is the InChIKey of 6,13-dibenzylidenepentacene?
The InChIKey is APSKHOXABFRUEM-QXLZFTBOSA-N. The full InChI is InChI=1S/C36H24/c1-3-11-25(12-4-1)19-31-33-21-27-15-7-9-17-29(27)23-35(33)32(20-26-13-5-2-6-14-26)36-24-30-18-10-8-16-28(30)22-34(31)36/h1-24H/b31-19-,32-20+.
What are the key properties of 6,13-dibenzylidenepentacene?
6,13-dibenzylidenepentacene has a molecular weight of 456.59 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dibenzylidenepentacene is sourced from PubChem (CID 142681968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).