10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene

C56H48 — CID 159798458

IUPAC10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene
SMILESCc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)-c1ccccc1C1=CC=CCC12.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/C19H16.C15H12.2C11H10/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-7,9-12,16H,8H2,1H3;2-10H,1H3;2*2-8H,1H3
InChIKeyNJLYMEQVZYBYJU-UHFFFAOYSA-N
MW721.00 g/mol
LogP15.70
Rot. Bonds

About 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene

10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene (PubChem CID 159798458) has the molecular formula C56H48 and a molecular weight of 721.00 g/mol. Its IUPAC name is 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene.

Molecular Properties

Compound Name10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene
PubChem CID159798458
Molecular FormulaC56H48
Molecular Weight721.00 g/mol
Exact Mass720.38
IUPAC Name10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene
SMILESCc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)-c1ccccc1C1=CC=CCC12.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/C19H16.C15H12.2C11H10/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-7,9-12,16H,8H2,1H3;2-10H,1H3;2*2-8H,1H3
InChIKeyNJLYMEQVZYBYJU-UHFFFAOYSA-N
XLogP15.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.00
LogP ≤ 515.70
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

1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
1-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482
2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
CID 157493896
9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene
CID 159147015
1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 157418786
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene
CID 159830422
1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene
CID 160790755

Frequently Asked Questions

What is the IUPAC name of 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene?
The IUPAC name of 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene (CID 159798458) is 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene.
What is the SMILES notation for 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene?
The canonical SMILES for 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene is Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)-c1ccccc1C1=CC=CCC12.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.
What is the InChIKey of 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene?
The InChIKey is NJLYMEQVZYBYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.C15H12.2C11H10/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-7,9-12,16H,8H2,1H3;2-10H,1H3;2*2-8H,1H3.
What are the key properties of 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene?
10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene has a molecular weight of 721.00 g/mol, XLogP of 15.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene is sourced from PubChem (CID 159798458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).