benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene

C172H242 — CID 159627808

IUPACbenzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C13H10.2C10H8.5C7H8.4C6H6.C3H8.19C2H6/c4*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-6-10-8-4-3-7-9(10)5-1;5*1-7-5-3-2-4-6-7;4*1-2-4-6-5-3-1;1-3-2;19*1-2/h4*1-8H,9H2;2*1-8H;5*2-6H,1H3;4*1-6H;3H2,1-2H3;19*1-2H3
InChIKeyMOSOHQJCSUNSQE-UHFFFAOYSA-N
MW2309.83 g/mol
LogP56.35
Rot. Bonds

About benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene

benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene (PubChem CID 159627808) has the molecular formula C172H242 and a molecular weight of 2309.83 g/mol. Its IUPAC name is benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene.

Molecular Properties

Compound Namebenzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
PubChem CID159627808
Molecular FormulaC172H242
Molecular Weight2309.83 g/mol
Exact Mass2307.89
IUPAC Namebenzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C13H10.2C10H8.5C7H8.4C6H6.C3H8.19C2H6/c4*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-6-10-8-4-3-7-9(10)5-1;5*1-7-5-3-2-4-6-7;4*1-2-4-6-5-3-1;1-3-2;19*1-2/h4*1-8H,9H2;2*1-8H;5*2-6H,1H3;4*1-6H;3H2,1-2H3;19*1-2H3
InChIKeyMOSOHQJCSUNSQE-UHFFFAOYSA-N
XLogP56.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002309.83
LogP ≤ 556.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 158482516
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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene?
The IUPAC name of benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene (CID 159627808) is benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene.
What is the SMILES notation for benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene?
The canonical SMILES for benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene?
The InChIKey is MOSOHQJCSUNSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H10.2C10H8.5C7H8.4C6H6.C3H8.19C2H6/c4*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-6-10-8-4-3-7-9(10)5-1;5*1-7-5-3-2-4-6-7;4*1-2-4-6-5-3-1;1-3-2;19*1-2/h4*1-8H,9H2;2*1-8H;5*2-6H,1H3;4*1-6H;3H2,1-2H3;19*1-2H3.
What are the key properties of benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene?
benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene has a molecular weight of 2309.83 g/mol, XLogP of 56.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene is sourced from PubChem (CID 159627808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).