1-(3,5-dimethylphenyl)perylene

C28H20 — CID 20517158

IUPAC1-(3,5-dimethylphenyl)perylene
SMILESCc1cc(C)cc(-c2ccc3cccc4c5cccc6cccc(c2c34)c65)c1
InChIInChI=1S/C28H20/c1-17-14-18(2)16-21(15-17)22-13-12-20-8-4-10-24-23-9-3-6-19-7-5-11-25(26(19)23)28(22)27(20)24/h3-16H,1-2H3
InChIKeyALLUOWFPDJPVOC-UHFFFAOYSA-N
MW356.47 g/mol
LogP8.02
Rot. Bonds1

About 1-(3,5-dimethylphenyl)perylene

1-(3,5-dimethylphenyl)perylene (PubChem CID 20517158) has the molecular formula C28H20 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)perylene.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)perylene
PubChem CID20517158
Molecular FormulaC28H20
Molecular Weight356.47 g/mol
Exact Mass356.16
IUPAC Name1-(3,5-dimethylphenyl)perylene
SMILESCc1cc(C)cc(-c2ccc3cccc4c5cccc6cccc(c2c34)c65)c1
InChIInChI=1S/C28H20/c1-17-14-18(2)16-21(15-17)22-13-12-20-8-4-10-24-23-9-3-6-19-7-5-11-25(26(19)23)28(22)27(20)24/h3-16H,1-2H3
InChIKeyALLUOWFPDJPVOC-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)perylene
CID 173065408
5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene
CID 59282192
5,20-bis(3,5-dimethylphenyl)undecacyclo[25.12.2.128,32.02,23.04,21.06,19.07,12.013,18.024,40.037,41.036,42]dotetraconta-1(40),2(23),3,5,7,9,11,13,15,17,19,21,24,26,28,30,32(42),33,35,37(41),38-henicosaene
CID 123883771
2-pyren-1-ylperylene
CID 91500760
2-(4-methylphenyl)hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 58734352
4-methyloctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,22,24-pentadecaene
CID 101455015
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
ethane;3-(4-methylphenyl)perylene
CID 91033625
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 175079054
1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
CID 159079152

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)perylene?
The IUPAC name of 1-(3,5-dimethylphenyl)perylene (CID 20517158) is 1-(3,5-dimethylphenyl)perylene.
What is the SMILES notation for 1-(3,5-dimethylphenyl)perylene?
The canonical SMILES for 1-(3,5-dimethylphenyl)perylene is Cc1cc(C)cc(-c2ccc3cccc4c5cccc6cccc(c2c34)c65)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)perylene?
The InChIKey is ALLUOWFPDJPVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20/c1-17-14-18(2)16-21(15-17)22-13-12-20-8-4-10-24-23-9-3-6-19-7-5-11-25(26(19)23)28(22)27(20)24/h3-16H,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)perylene?
1-(3,5-dimethylphenyl)perylene has a molecular weight of 356.47 g/mol, XLogP of 8.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)perylene is sourced from PubChem (CID 20517158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).