2,9,10-trimethylperylene

C23H18 — CID 58193405

IUPAC2,9,10-trimethylperylene
SMILESCc1cc2cccc3c4ccc(C)c5c(C)ccc(c(c1)c23)c54
InChIInChI=1S/C23H18/c1-13-11-16-5-4-6-17-18-9-7-14(2)21-15(3)8-10-19(23(18)21)20(12-13)22(16)17/h4-12H,1-3H3
InChIKeyNZPINZKQXOWRRV-UHFFFAOYSA-N
MW294.40 g/mol
LogP6.66
Rot. Bonds

About 2,9,10-trimethylperylene

2,9,10-trimethylperylene (PubChem CID 58193405) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2,9,10-trimethylperylene.

Molecular Properties

Compound Name2,9,10-trimethylperylene
PubChem CID58193405
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name2,9,10-trimethylperylene
SMILESCc1cc2cccc3c4ccc(C)c5c(C)ccc(c(c1)c23)c54
InChIInChI=1S/C23H18/c1-13-11-16-5-4-6-17-18-9-7-14(2)21-15(3)8-10-19(23(18)21)20(12-13)22(16)17/h4-12H,1-3H3
InChIKeyNZPINZKQXOWRRV-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 56.66
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

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
2-methylperylene;3-methylperylene
CID 157412879
3,4-dimethylperylene
CID 20583839
16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 59090434
3,4,9-trimethylperylene
CID 59598979
1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159614590
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene
CID 122397291
8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene
CID 123187925
4,10-dimethylpyrene
CID 91667650
4,9-dimethyl-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7(26),8,10,12,14,16,18(25),19,21,23-tridecaene;8-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3,5,7,9,11(26),13,15,17,19,21,23-tridecaene;13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7(26),8,10,12,14,16,18(25),19,21,23-tridecaene;23-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3,5,7(26),8,10,13,15,17,19(24),20,22-tridecaene
CID 159143720
tridecacyclo[26.12.2.25,8.19,13.129,33.02,24.04,22.06,21.07,18.025,41.038,42.017,44.037,43]hexatetraconta-1(41),2(24),3,5,7,9,11,13(44),14,16,18,20,22,25,27,29,31,33(43),34,36,38(42),39,45-tricosaene
CID 123956616

Frequently Asked Questions

What is the IUPAC name of 2,9,10-trimethylperylene?
The IUPAC name of 2,9,10-trimethylperylene (CID 58193405) is 2,9,10-trimethylperylene.
What is the SMILES notation for 2,9,10-trimethylperylene?
The canonical SMILES for 2,9,10-trimethylperylene is Cc1cc2cccc3c4ccc(C)c5c(C)ccc(c(c1)c23)c54.
What is the InChIKey of 2,9,10-trimethylperylene?
The InChIKey is NZPINZKQXOWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-13-11-16-5-4-6-17-18-9-7-14(2)21-15(3)8-10-19(23(18)21)20(12-13)22(16)17/h4-12H,1-3H3.
What are the key properties of 2,9,10-trimethylperylene?
2,9,10-trimethylperylene has a molecular weight of 294.40 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,10-trimethylperylene is sourced from PubChem (CID 58193405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).