ethane;methane;10,10'-spirobi[9H-anthracene]

C39H60 — CID 157229277

IUPACethane;methane;10,10'-spirobi[9H-anthracene]
SMILESC.C.C.C.CC.CC.CC.CC.c1ccc2c(c1)Cc1ccccc1C21c2ccccc2Cc2ccccc21
InChIInChI=1S/C27H20.4C2H6.4CH4/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)27;4*1-2;;;;/h1-16H,17-18H2;4*1-2H3;4*1H4
InChIKeyATXNCHUTPDGJEF-UHFFFAOYSA-N
MW528.91 g/mol
LogP12.53
Rot. Bonds

About ethane;methane;10,10'-spirobi[9H-anthracene]

ethane;methane;10,10'-spirobi[9H-anthracene] (PubChem CID 157229277) has the molecular formula C39H60 and a molecular weight of 528.91 g/mol. Its IUPAC name is ethane;methane;10,10'-spirobi[9H-anthracene].

Molecular Properties

Compound Nameethane;methane;10,10'-spirobi[9H-anthracene]
PubChem CID157229277
Molecular FormulaC39H60
Molecular Weight528.91 g/mol
Exact Mass528.47
IUPAC Nameethane;methane;10,10'-spirobi[9H-anthracene]
SMILESC.C.C.C.CC.CC.CC.CC.c1ccc2c(c1)Cc1ccccc1C21c2ccccc2Cc2ccccc21
InChIInChI=1S/C27H20.4C2H6.4CH4/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)27;4*1-2;;;;/h1-16H,17-18H2;4*1-2H3;4*1H4
InChIKeyATXNCHUTPDGJEF-UHFFFAOYSA-N
XLogP12.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.91
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;10,10'-spirobi[9H-anthracene]?
The IUPAC name of ethane;methane;10,10'-spirobi[9H-anthracene] (CID 157229277) is ethane;methane;10,10'-spirobi[9H-anthracene].
What is the SMILES notation for ethane;methane;10,10'-spirobi[9H-anthracene]?
The canonical SMILES for ethane;methane;10,10'-spirobi[9H-anthracene] is C.C.C.C.CC.CC.CC.CC.c1ccc2c(c1)Cc1ccccc1C21c2ccccc2Cc2ccccc21.
What is the InChIKey of ethane;methane;10,10'-spirobi[9H-anthracene]?
The InChIKey is ATXNCHUTPDGJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20.4C2H6.4CH4/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)27;4*1-2;;;;/h1-16H,17-18H2;4*1-2H3;4*1H4.
What are the key properties of ethane;methane;10,10'-spirobi[9H-anthracene]?
ethane;methane;10,10'-spirobi[9H-anthracene] has a molecular weight of 528.91 g/mol, XLogP of 12.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;10,10'-spirobi[9H-anthracene] is sourced from PubChem (CID 157229277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).