2,8-dimethyl-1-phenylpyrene

C24H18 — CID 175605682

IUPAC2,8-dimethyl-1-phenylpyrene
SMILESCc1cc2ccc3ccc(C)c4ccc(c1-c1ccccc1)c2c34
InChIInChI=1S/C24H18/c1-15-8-9-18-10-11-19-14-16(2)22(17-6-4-3-5-7-17)21-13-12-20(15)23(18)24(19)21/h3-14H,1-2H3
InChIKeyVBWVTOBFHQNOCY-UHFFFAOYSA-N
MW306.41 g/mol
LogP6.87
Rot. Bonds1

About 2,8-dimethyl-1-phenylpyrene

2,8-dimethyl-1-phenylpyrene (PubChem CID 175605682) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,8-dimethyl-1-phenylpyrene.

Molecular Properties

Compound Name2,8-dimethyl-1-phenylpyrene
PubChem CID175605682
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name2,8-dimethyl-1-phenylpyrene
SMILESCc1cc2ccc3ccc(C)c4ccc(c1-c1ccccc1)c2c34
InChIInChI=1S/C24H18/c1-15-8-9-18-10-11-19-14-16(2)22(17-6-4-3-5-7-17)21-13-12-20(15)23(18)24(19)21/h3-14H,1-2H3
InChIKeyVBWVTOBFHQNOCY-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2,8-dimethylpyrene
CID 175605672
5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene
CID 134842596
methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane
CID 143743290
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091
2,9-dibromo-6,13-dimethyl-7,14-diphenylnaphtho[1,2-b]phenanthrene
CID 118312552
8,13-dimethyl-3,18-diphenylundecacyclo[21.12.2.29,12.124,28.02,19.04,17.05,10.011,16.020,36.033,37.032,38]tetraconta-1(36),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24,26,28(38),29,31,33(37),34,39-icosaene
CID 59090336
N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene
CID 158173263
2-methyl-1-phenyltriphenylene
CID 175828145
1-benzyl-6-methylpyrene
CID 143438627
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183
3-methyl-2-phenylnaphthalen-1-ol
CID 68536757
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1-phenylpyrene?
The IUPAC name of 2,8-dimethyl-1-phenylpyrene (CID 175605682) is 2,8-dimethyl-1-phenylpyrene.
What is the SMILES notation for 2,8-dimethyl-1-phenylpyrene?
The canonical SMILES for 2,8-dimethyl-1-phenylpyrene is Cc1cc2ccc3ccc(C)c4ccc(c1-c1ccccc1)c2c34.
What is the InChIKey of 2,8-dimethyl-1-phenylpyrene?
The InChIKey is VBWVTOBFHQNOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-15-8-9-18-10-11-19-14-16(2)22(17-6-4-3-5-7-17)21-13-12-20(15)23(18)24(19)21/h3-14H,1-2H3.
What are the key properties of 2,8-dimethyl-1-phenylpyrene?
2,8-dimethyl-1-phenylpyrene has a molecular weight of 306.41 g/mol, XLogP of 6.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1-phenylpyrene is sourced from PubChem (CID 175605682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).