9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene

C49H40 — CID 143856164

IUPAC9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
SMILESCC.Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H18.C21H16.C2H6/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;1-2/h1-18H;2-14H,1H3;1-2H3
InChIKeyCIBCYJAISVEWBN-UHFFFAOYSA-N
MW628.86 g/mol
LogP14.32
Rot. Bonds3

About 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene

9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene (PubChem CID 143856164) has the molecular formula C49H40 and a molecular weight of 628.86 g/mol. Its IUPAC name is 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene.

Molecular Properties

Compound Name9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
PubChem CID143856164
Molecular FormulaC49H40
Molecular Weight628.86 g/mol
Exact Mass628.31
IUPAC Name9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
SMILESCC.Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H18.C21H16.C2H6/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;1-2/h1-18H;2-14H,1H3;1-2H3
InChIKeyCIBCYJAISVEWBN-UHFFFAOYSA-N
XLogP14.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.86
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
2,9-dimethyl-10-phenylanthracene
CID 58435289
9-methyl-10-(3-phenylphenyl)anthracene
CID 58599979
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene
CID 58876225
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
CID 157434861
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507

Frequently Asked Questions

What is the IUPAC name of 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene?
The IUPAC name of 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene (CID 143856164) is 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene.
What is the SMILES notation for 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene?
The canonical SMILES for 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene is CC.Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene?
The InChIKey is CIBCYJAISVEWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.C21H16.C2H6/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;1-2/h1-18H;2-14H,1H3;1-2H3.
What are the key properties of 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene?
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene has a molecular weight of 628.86 g/mol, XLogP of 14.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene is sourced from PubChem (CID 143856164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).