9-anthracen-9-ylanthracene;toluene

C35H26 — CID 86148014

IUPAC9-anthracen-9-ylanthracene;toluene
SMILESCc1ccccc1.c1ccc2c(-c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C28H18.C7H8/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28;1-7-5-3-2-4-6-7/h1-18H;2-6H,1H3
InChIKeyXBPNMWXWLNCODC-UHFFFAOYSA-N
MW446.59 g/mol
LogP9.96
Rot. Bonds1

About 9-anthracen-9-ylanthracene;toluene

9-anthracen-9-ylanthracene;toluene (PubChem CID 86148014) has the molecular formula C35H26 and a molecular weight of 446.59 g/mol. Its IUPAC name is 9-anthracen-9-ylanthracene;toluene.

Molecular Properties

Compound Name9-anthracen-9-ylanthracene;toluene
PubChem CID86148014
Molecular FormulaC35H26
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name9-anthracen-9-ylanthracene;toluene
SMILESCc1ccccc1.c1ccc2c(-c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C28H18.C7H8/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28;1-7-5-3-2-4-6-7/h1-18H;2-6H,1H3
InChIKeyXBPNMWXWLNCODC-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 59.96
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

tetrakis(2,2-dimethylpropane);tris(9,10-diphenylanthracene);ethane;naphthalene;9-phenylanthracene;toluene
CID 160549128
pentacene;toluene
CID 160618494
phenanthrene;toluene
CID 158347700
acetonitrile;9-anthracen-9-ylanthracene
CID 71362371
9-(2,3-dimethylanthracen-9-yl)-2,3,6-trimethylanthracene
CID 123193685
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
ethane;9-methylphenanthrene;toluene;1,4-xylene
CID 143426197
anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
CID 161125240
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-9-ylanthracene;toluene?
The IUPAC name of 9-anthracen-9-ylanthracene;toluene (CID 86148014) is 9-anthracen-9-ylanthracene;toluene.
What is the SMILES notation for 9-anthracen-9-ylanthracene;toluene?
The canonical SMILES for 9-anthracen-9-ylanthracene;toluene is Cc1ccccc1.c1ccc2c(-c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1.
What is the InChIKey of 9-anthracen-9-ylanthracene;toluene?
The InChIKey is XBPNMWXWLNCODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18.C7H8/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28;1-7-5-3-2-4-6-7/h1-18H;2-6H,1H3.
What are the key properties of 9-anthracen-9-ylanthracene;toluene?
9-anthracen-9-ylanthracene;toluene has a molecular weight of 446.59 g/mol, XLogP of 9.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthracen-9-ylanthracene;toluene is sourced from PubChem (CID 86148014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).