benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)

C131H182N12 — CID 165033645

IUPACbenzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1
InChIInChI=1S/C13H10.5C10H8.4C9H15N3.2C6H6.10C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;5*1-2-6-10-8-4-3-7-9(10)5-1;4*1-4-7-10-8(5-2)12-9(6-3)11-7;2*1-2-4-6-5-3-1;10*1-2/h1-8H,9H2;5*1-8H;4*4-6H2,1-3H3;2*1-6H;10*1-2H3
InChIKeyNAXBPJNGTRICST-UHFFFAOYSA-N
MW1924.98 g/mol
LogP37.33
Rot. Bonds12

About benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)

benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine) (PubChem CID 165033645) has the molecular formula C131H182N12 and a molecular weight of 1924.98 g/mol. Its IUPAC name is benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine).

Molecular Properties

Compound Namebenzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)
PubChem CID165033645
Molecular FormulaC131H182N12
Molecular Weight1924.98 g/mol
Exact Mass1923.46
IUPAC Namebenzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1
InChIInChI=1S/C13H10.5C10H8.4C9H15N3.2C6H6.10C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;5*1-2-6-10-8-4-3-7-9(10)5-1;4*1-4-7-10-8(5-2)12-9(6-3)11-7;2*1-2-4-6-5-3-1;10*1-2/h1-8H,9H2;5*1-8H;4*4-6H2,1-3H3;2*1-6H;10*1-2H3
InChIKeyNAXBPJNGTRICST-UHFFFAOYSA-N
XLogP37.33
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001924.98
LogP ≤ 537.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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ethane;9H-fluorene;naphthalene;toluene
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benzene;9H-fluorene;naphthalene;pyridine
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ethanamine;9H-fluorene
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CID 67831567
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CID 158482516
ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane
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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)?
The IUPAC name of benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine) (CID 165033645) is benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine).
What is the SMILES notation for benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)?
The canonical SMILES for benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)?
The InChIKey is NAXBPJNGTRICST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.5C10H8.4C9H15N3.2C6H6.10C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;5*1-2-6-10-8-4-3-7-9(10)5-1;4*1-4-7-10-8(5-2)12-9(6-3)11-7;2*1-2-4-6-5-3-1;10*1-2/h1-8H,9H2;5*1-8H;4*4-6H2,1-3H3;2*1-6H;10*1-2H3.
What are the key properties of benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)?
benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine) has a molecular weight of 1924.98 g/mol, XLogP of 37.33, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine) is sourced from PubChem (CID 165033645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).