2-methyl-1-phenyltriphenylene

C25H18 — CID 175828145

IUPAC2-methyl-1-phenyltriphenylene
SMILESCc1ccc2c3ccccc3c3ccccc3c2c1-c1ccccc1
InChIInChI=1S/C25H18/c1-17-15-16-23-21-13-6-5-11-19(21)20-12-7-8-14-22(20)25(23)24(17)18-9-3-2-4-10-18/h2-16H,1H3
InChIKeyVZSPJTRYXVGTGT-UHFFFAOYSA-N
MW318.42 g/mol
LogP7.12
Rot. Bonds1

About 2-methyl-1-phenyltriphenylene

2-methyl-1-phenyltriphenylene (PubChem CID 175828145) has the molecular formula C25H18 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-1-phenyltriphenylene.

Molecular Properties

Compound Name2-methyl-1-phenyltriphenylene
PubChem CID175828145
Molecular FormulaC25H18
Molecular Weight318.42 g/mol
Exact Mass318.14
IUPAC Name2-methyl-1-phenyltriphenylene
SMILESCc1ccc2c3ccccc3c3ccccc3c2c1-c1ccccc1
InChIInChI=1S/C25H18/c1-17-15-16-23-21-13-6-5-11-19(21)20-12-7-8-14-22(20)25(23)24(17)18-9-3-2-4-10-18/h2-16H,1H3
InChIKeyVZSPJTRYXVGTGT-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 57.12
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

2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine
CID 166135030
5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene
CID 134842596
31,32-diphenylnonacyclo[16.14.0.02,9.03,8.010,17.011,16.019,30.022,29.023,28]dotriaconta-1(32),2(9),3,5,7,10(17),11,13,15,18,20,22(29),23,25,27,30-hexadecaene
CID 134945087
1,2-dimethyltriphenylene;ethane
CID 145144770
(1,4-dimethyl-3-phenyltriphenylen-2-yl)methanol
CID 71733889
4-(4-methylphenyl)-3,5,6-triphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
CID 123196771
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
10-(2,6-dimethylfluoranthen-3-yl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068182
5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane
CID 144663155
6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene
CID 147672921
9-(4-methylphenyl)-10-phenylanthracene
CID 631292

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyltriphenylene?
The IUPAC name of 2-methyl-1-phenyltriphenylene (CID 175828145) is 2-methyl-1-phenyltriphenylene.
What is the SMILES notation for 2-methyl-1-phenyltriphenylene?
The canonical SMILES for 2-methyl-1-phenyltriphenylene is Cc1ccc2c3ccccc3c3ccccc3c2c1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyltriphenylene?
The InChIKey is VZSPJTRYXVGTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18/c1-17-15-16-23-21-13-6-5-11-19(21)20-12-7-8-14-22(20)25(23)24(17)18-9-3-2-4-10-18/h2-16H,1H3.
What are the key properties of 2-methyl-1-phenyltriphenylene?
2-methyl-1-phenyltriphenylene has a molecular weight of 318.42 g/mol, XLogP of 7.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyltriphenylene is sourced from PubChem (CID 175828145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).