9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene

C77H76 — CID 157434861

IUPAC9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
SMILESCC.CC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(Cc3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C41H28.C26H18.5C2H6/c1-3-15-28(16-4-1)40-34-23-11-7-19-30(34)38(31-20-8-12-24-35(31)40)27-39-32-21-9-13-25-36(32)41(29-17-5-2-6-18-29)37-26-14-10-22-33(37)39;1-3-11-19(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;5*1-2/h1-26H,27H2;1-18H;5*1-2H3
InChIKeyBQZBFHVCABVJNW-UHFFFAOYSA-N
MW1001.45 g/mol
LogP23.68
Rot. Bonds6

About 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene

9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene (PubChem CID 157434861) has the molecular formula C77H76 and a molecular weight of 1001.45 g/mol. Its IUPAC name is 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene.

Molecular Properties

Compound Name9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
PubChem CID157434861
Molecular FormulaC77H76
Molecular Weight1001.45 g/mol
Exact Mass1000.59
IUPAC Name9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
SMILESCC.CC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(Cc3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C41H28.C26H18.5C2H6/c1-3-15-28(16-4-1)40-34-23-11-7-19-30(34)38(31-20-8-12-24-35(31)40)27-39-32-21-9-13-25-36(32)41(29-17-5-2-6-18-29)37-26-14-10-22-33(37)39;1-3-11-19(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;5*1-2/h1-26H,27H2;1-18H;5*1-2H3
InChIKeyBQZBFHVCABVJNW-UHFFFAOYSA-N
XLogP23.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.45
LogP ≤ 523.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
ethane;2-methylbutane;9-phenyl-10-(4-phenylphenyl)anthracene
CID 160542444
ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 160663252
9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene
CID 59194323
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
10-(10-phenylanthracen-9-yl)decane-1-thiol
CID 90045086
9-iodo-10-phenylanthracene
CID 14958373
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825

Frequently Asked Questions

What is the IUPAC name of 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene?
The IUPAC name of 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene (CID 157434861) is 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene.
What is the SMILES notation for 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene?
The canonical SMILES for 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene is CC.CC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(Cc3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene?
The InChIKey is BQZBFHVCABVJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28.C26H18.5C2H6/c1-3-15-28(16-4-1)40-34-23-11-7-19-30(34)38(31-20-8-12-24-35(31)40)27-39-32-21-9-13-25-36(32)41(29-17-5-2-6-18-29)37-26-14-10-22-33(37)39;1-3-11-19(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;5*1-2/h1-26H,27H2;1-18H;5*1-2H3.
What are the key properties of 9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene?
9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene has a molecular weight of 1001.45 g/mol, XLogP of 23.68, 6 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-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene is sourced from PubChem (CID 157434861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).