6-methyl-1,2-dihydrotriphenylene

C19H16 — CID 123255484

IUPAC6-methyl-1,2-dihydrotriphenylene
SMILESCc1ccc2c(c1)c1c(c3ccccc32)CCC=C1
InChIInChI=1S/C19H16/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2-3,5-6,8-12H,4,7H2,1H3
InChIKeyXCHUWVZVCAWNHB-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.26
Rot. Bonds

About 6-methyl-1,2-dihydrotriphenylene

6-methyl-1,2-dihydrotriphenylene (PubChem CID 123255484) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-methyl-1,2-dihydrotriphenylene.

Molecular Properties

Compound Name6-methyl-1,2-dihydrotriphenylene
PubChem CID123255484
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name6-methyl-1,2-dihydrotriphenylene
SMILESCc1ccc2c(c1)c1c(c3ccccc32)CCC=C1
InChIInChI=1S/C19H16/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2-3,5-6,8-12H,4,7H2,1H3
InChIKeyXCHUWVZVCAWNHB-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.26
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

6-bromo-1,2-dihydrotriphenylene
CID 144751099
9,10-dimethyl-3,4-dihydrophenanthrene
CID 142416253
7-methylheptacyclo[12.6.6.64,11.05,10.015,20.021,26.027,32]dotriaconta-1(20),4,6,8,10,14,16,18,21,23,25,27,29,31-tetradecaene
CID 20825162
2-[4-[4-(9,10-dihydrotriphenylen-2-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90295397
6-methyl-1,2-dihydrochrysene
CID 143566629
9,10-dimethyl-1,2-dihydroanthracene
CID 71409601
2,7-dimethyltriphenylene
CID 23261750
9,10-di(propan-2-yl)-3,4-dihydrophenanthrene
CID 155644326
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
ethane;2-methyltriphenylene
CID 91569125
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2-dihydrotriphenylene?
The IUPAC name of 6-methyl-1,2-dihydrotriphenylene (CID 123255484) is 6-methyl-1,2-dihydrotriphenylene.
What is the SMILES notation for 6-methyl-1,2-dihydrotriphenylene?
The canonical SMILES for 6-methyl-1,2-dihydrotriphenylene is Cc1ccc2c(c1)c1c(c3ccccc32)CCC=C1.
What is the InChIKey of 6-methyl-1,2-dihydrotriphenylene?
The InChIKey is XCHUWVZVCAWNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2-3,5-6,8-12H,4,7H2,1H3.
What are the key properties of 6-methyl-1,2-dihydrotriphenylene?
6-methyl-1,2-dihydrotriphenylene has a molecular weight of 244.34 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2-dihydrotriphenylene is sourced from PubChem (CID 123255484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).