1-(2,6-dimethylphenyl)pentacene

C30H22 — CID 163989342

IUPAC1-(2,6-dimethylphenyl)pentacene
SMILESCc1cccc(C)c1-c1cccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C30H22/c1-19-7-5-8-20(2)30(19)28-12-6-11-23-15-26-16-24-13-21-9-3-4-10-22(21)14-25(24)17-27(26)18-29(23)28/h3-18H,1-2H3
InChIKeyTZFIMFABXAPGCP-UHFFFAOYSA-N
MW382.51 g/mol
LogP8.58
Rot. Bonds1

About 1-(2,6-dimethylphenyl)pentacene

1-(2,6-dimethylphenyl)pentacene (PubChem CID 163989342) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)pentacene.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)pentacene
PubChem CID163989342
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name1-(2,6-dimethylphenyl)pentacene
SMILESCc1cccc(C)c1-c1cccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C30H22/c1-19-7-5-8-20(2)30(19)28-12-6-11-23-15-26-16-24-13-21-9-3-4-10-22(21)14-25(24)17-27(26)18-29(23)28/h3-18H,1-2H3
InChIKeyTZFIMFABXAPGCP-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 58.58
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-di(anthracen-1-yl)anthracene
CID 58645093
1-tetracen-5-yltetracene
CID 91610936
4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine
CID 139189777
1-(2,4,6-tritert-butylphenyl)pentacene
CID 141153745
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
1-(2,3-dimethyl-1H-inden-1-yl)anthracene
CID 172691633
1-anthracen-1-ylanthracene-2,3-diol
CID 140777781
3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene
CID 161395588
1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162
8-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123644707

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)pentacene?
The IUPAC name of 1-(2,6-dimethylphenyl)pentacene (CID 163989342) is 1-(2,6-dimethylphenyl)pentacene.
What is the SMILES notation for 1-(2,6-dimethylphenyl)pentacene?
The canonical SMILES for 1-(2,6-dimethylphenyl)pentacene is Cc1cccc(C)c1-c1cccc2cc3cc4cc5ccccc5cc4cc3cc12.
What is the InChIKey of 1-(2,6-dimethylphenyl)pentacene?
The InChIKey is TZFIMFABXAPGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-19-7-5-8-20(2)30(19)28-12-6-11-23-15-26-16-24-13-21-9-3-4-10-22(21)14-25(24)17-27(26)18-29(23)28/h3-18H,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)pentacene?
1-(2,6-dimethylphenyl)pentacene has a molecular weight of 382.51 g/mol, XLogP of 8.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)pentacene is sourced from PubChem (CID 163989342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).