2-methyl-1,2-dihydrotriphenylene

C19H16 — CID 145204096

IUPAC2-methyl-1,2-dihydrotriphenylene
SMILESCC1C=Cc2c(c3ccccc3c3ccccc23)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/h2-11,13H,12H2,1H3
InChIKeyZPMFGPRZBKZRIW-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.20
Rot. Bonds

About 2-methyl-1,2-dihydrotriphenylene

2-methyl-1,2-dihydrotriphenylene (PubChem CID 145204096) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-1,2-dihydrotriphenylene.

Molecular Properties

Compound Name2-methyl-1,2-dihydrotriphenylene
PubChem CID145204096
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name2-methyl-1,2-dihydrotriphenylene
SMILESCC1C=Cc2c(c3ccccc3c3ccccc23)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/h2-11,13H,12H2,1H3
InChIKeyZPMFGPRZBKZRIW-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
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

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CID 131969747
N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline
CID 146359887
2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene
CID 20700482
3-methyl-3,4-dihydrocarbazol-9-amine
CID 174255238
4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane
CID 147149825
24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126677998
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
18-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),19-nonaene
CID 144963652
6-methyl-1,2-dihydrotriphenylene
CID 123255484
9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
CID 146532040
2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 146360051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-dihydrotriphenylene?
The IUPAC name of 2-methyl-1,2-dihydrotriphenylene (CID 145204096) is 2-methyl-1,2-dihydrotriphenylene.
What is the SMILES notation for 2-methyl-1,2-dihydrotriphenylene?
The canonical SMILES for 2-methyl-1,2-dihydrotriphenylene is CC1C=Cc2c(c3ccccc3c3ccccc23)C1.
What is the InChIKey of 2-methyl-1,2-dihydrotriphenylene?
The InChIKey is ZPMFGPRZBKZRIW-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/h2-11,13H,12H2,1H3.
What are the key properties of 2-methyl-1,2-dihydrotriphenylene?
2-methyl-1,2-dihydrotriphenylene has a molecular weight of 244.34 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-dihydrotriphenylene is sourced from PubChem (CID 145204096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).