5,6,7,12,13,14-hexamethylpentacene

C28H26 — CID 20682938

IUPAC5,6,7,12,13,14-hexamethylpentacene
SMILESCc1c2ccccc2c(C)c2c(C)c3c(C)c4ccccc4c(C)c3c(C)c12
InChIInChI=1S/C28H26/c1-15-21-11-7-8-12-22(21)16(2)26-20(6)28-18(4)24-14-10-9-13-23(24)17(3)27(28)19(5)25(15)26/h7-14H,1-6H3
InChIKeyNBVIIHRZUHOHFJ-UHFFFAOYSA-N
MW362.52 g/mol
LogP8.15
Rot. Bonds

About 5,6,7,12,13,14-hexamethylpentacene

5,6,7,12,13,14-hexamethylpentacene (PubChem CID 20682938) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 5,6,7,12,13,14-hexamethylpentacene.

Molecular Properties

Compound Name5,6,7,12,13,14-hexamethylpentacene
PubChem CID20682938
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name5,6,7,12,13,14-hexamethylpentacene
SMILESCc1c2ccccc2c(C)c2c(C)c3c(C)c4ccccc4c(C)c3c(C)c12
InChIInChI=1S/C28H26/c1-15-21-11-7-8-12-22(21)16(2)26-20(6)28-18(4)24-14-10-9-13-23(24)17(3)27(28)19(5)25(15)26/h7-14H,1-6H3
InChIKeyNBVIIHRZUHOHFJ-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 58.15
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

3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 140722710
(10-methylanthracen-9-yl)phosphane
CID 163731977
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene
CID 138558667
1,3,4-trimethylnaphthalen-2-amine
CID 68501802
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753
ethane;2,3,9,10-tetramethylanthracene
CID 143843330
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
1,3,4-trimethylisoquinoline
CID 59961835
9-tert-butyl-10-methylanthracene
CID 58161441
9,10-dichloro-1,2,3,4-tetramethylanthracene
CID 139963495
3,10,21-trimethoxy-14-methyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 118099456

Frequently Asked Questions

What is the IUPAC name of 5,6,7,12,13,14-hexamethylpentacene?
The IUPAC name of 5,6,7,12,13,14-hexamethylpentacene (CID 20682938) is 5,6,7,12,13,14-hexamethylpentacene.
What is the SMILES notation for 5,6,7,12,13,14-hexamethylpentacene?
The canonical SMILES for 5,6,7,12,13,14-hexamethylpentacene is Cc1c2ccccc2c(C)c2c(C)c3c(C)c4ccccc4c(C)c3c(C)c12.
What is the InChIKey of 5,6,7,12,13,14-hexamethylpentacene?
The InChIKey is NBVIIHRZUHOHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-15-21-11-7-8-12-22(21)16(2)26-20(6)28-18(4)24-14-10-9-13-23(24)17(3)27(28)19(5)25(15)26/h7-14H,1-6H3.
What are the key properties of 5,6,7,12,13,14-hexamethylpentacene?
5,6,7,12,13,14-hexamethylpentacene has a molecular weight of 362.52 g/mol, XLogP of 8.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,12,13,14-hexamethylpentacene is sourced from PubChem (CID 20682938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).