9-(anthracen-9-ylmethyl)anthracene;ethane

C33H32 — CID 91026872

IUPAC9-(anthracen-9-ylmethyl)anthracene;ethane
SMILESCC.CC.c1ccc2c(Cc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C29H20.2C2H6/c1-5-13-24-20(9-1)17-21-10-2-6-14-25(21)28(24)19-29-26-15-7-3-11-22(26)18-23-12-4-8-16-27(23)29;2*1-2/h1-18H,19H2;2*1-2H3
InChIKeyWRTKHYYMDCUJCB-UHFFFAOYSA-N
MW428.62 g/mol
LogP9.94
Rot. Bonds2

About 9-(anthracen-9-ylmethyl)anthracene;ethane

9-(anthracen-9-ylmethyl)anthracene;ethane (PubChem CID 91026872) has the molecular formula C33H32 and a molecular weight of 428.62 g/mol. Its IUPAC name is 9-(anthracen-9-ylmethyl)anthracene;ethane.

Molecular Properties

Compound Name9-(anthracen-9-ylmethyl)anthracene;ethane
PubChem CID91026872
Molecular FormulaC33H32
Molecular Weight428.62 g/mol
Exact Mass428.25
IUPAC Name9-(anthracen-9-ylmethyl)anthracene;ethane
SMILESCC.CC.c1ccc2c(Cc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C29H20.2C2H6/c1-5-13-24-20(9-1)17-21-10-2-6-14-25(21)28(24)19-29-26-15-7-3-11-22(26)18-23-12-4-8-16-27(23)29;2*1-2/h1-18H,19H2;2*1-2H3
InChIKeyWRTKHYYMDCUJCB-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 59.94
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

2,4-bis(anthracen-9-ylmethyl)benzene-1,3,5-triol
CID 20634059
anthracen-9-ylmethyloxidanium
CID 143222944
9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
CID 12570915
ethane;9-methylanthracene;naphthalene
CID 161226057
1-anthracen-9-ylpropan-2-ol
CID 19889136
bis[4-(anthracen-9-ylmethyl)thiophen-2-yl]iodanium
CID 139728934
2-(anthracen-9-ylmethyl)benzene-1,4-diol
CID 15543617
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
9-(ethylsulfanylmethoxymethyl)anthracene
CID 101098326
ethane;methane;phenanthrene
CID 144939263

Frequently Asked Questions

What is the IUPAC name of 9-(anthracen-9-ylmethyl)anthracene;ethane?
The IUPAC name of 9-(anthracen-9-ylmethyl)anthracene;ethane (CID 91026872) is 9-(anthracen-9-ylmethyl)anthracene;ethane.
What is the SMILES notation for 9-(anthracen-9-ylmethyl)anthracene;ethane?
The canonical SMILES for 9-(anthracen-9-ylmethyl)anthracene;ethane is CC.CC.c1ccc2c(Cc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1.
What is the InChIKey of 9-(anthracen-9-ylmethyl)anthracene;ethane?
The InChIKey is WRTKHYYMDCUJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20.2C2H6/c1-5-13-24-20(9-1)17-21-10-2-6-14-25(21)28(24)19-29-26-15-7-3-11-22(26)18-23-12-4-8-16-27(23)29;2*1-2/h1-18H,19H2;2*1-2H3.
What are the key properties of 9-(anthracen-9-ylmethyl)anthracene;ethane?
9-(anthracen-9-ylmethyl)anthracene;ethane has a molecular weight of 428.62 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(anthracen-9-ylmethyl)anthracene;ethane is sourced from PubChem (CID 91026872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).