ethane;9H-fluorene;naphthalene;toluene

C40H56 — CID 160674058

IUPACethane;9H-fluorene;naphthalene;toluene
SMILESCC.CC.CC.CC.CC.Cc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1
InChIInChI=1S/C13H10.C10H8.C7H8.5C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;5*1-2/h1-8H,9H2;1-8H;2-6H,1H3;5*1-2H3
InChIKeyRNHMDRINYWXPQW-UHFFFAOYSA-N
MW536.89 g/mol
LogP13.22
Rot. Bonds

About ethane;9H-fluorene;naphthalene;toluene

ethane;9H-fluorene;naphthalene;toluene (PubChem CID 160674058) has the molecular formula C40H56 and a molecular weight of 536.89 g/mol. Its IUPAC name is ethane;9H-fluorene;naphthalene;toluene.

Molecular Properties

Compound Nameethane;9H-fluorene;naphthalene;toluene
PubChem CID160674058
Molecular FormulaC40H56
Molecular Weight536.89 g/mol
Exact Mass536.44
IUPAC Nameethane;9H-fluorene;naphthalene;toluene
SMILESCC.CC.CC.CC.CC.Cc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1
InChIInChI=1S/C13H10.C10H8.C7H8.5C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;5*1-2/h1-8H,9H2;1-8H;2-6H,1H3;5*1-2H3
InChIKeyRNHMDRINYWXPQW-UHFFFAOYSA-N
XLogP13.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.89
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;9H-fluorene;naphthalene;toluene?
The IUPAC name of ethane;9H-fluorene;naphthalene;toluene (CID 160674058) is ethane;9H-fluorene;naphthalene;toluene.
What is the SMILES notation for ethane;9H-fluorene;naphthalene;toluene?
The canonical SMILES for ethane;9H-fluorene;naphthalene;toluene is CC.CC.CC.CC.CC.Cc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.
What is the InChIKey of ethane;9H-fluorene;naphthalene;toluene?
The InChIKey is RNHMDRINYWXPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C10H8.C7H8.5C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;5*1-2/h1-8H,9H2;1-8H;2-6H,1H3;5*1-2H3.
What are the key properties of ethane;9H-fluorene;naphthalene;toluene?
ethane;9H-fluorene;naphthalene;toluene has a molecular weight of 536.89 g/mol, XLogP of 13.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9H-fluorene;naphthalene;toluene is sourced from PubChem (CID 160674058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).