pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane

C188H172N6O6 — CID 160839075

IUPACpentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2ccccc2c1)c1ccc2cc3ccccc3cc2n1
InChIInChI=1S/5C28H17NO.C24H15NO.12C2H6/c5*30-28(24-10-9-22-13-18-5-1-2-7-20(18)15-25(22)16-24)26-12-11-23-14-19-6-3-4-8-21(19)17-27(23)29-26;26-24(21-10-9-16-5-1-2-6-17(16)14-21)22-12-11-20-13-18-7-3-4-8-19(18)15-23(20)25-22;12*1-2/h5*1-17H;1-15H;12*1-2H3
InChIKeySHUBYXYXFCQLDF-UHFFFAOYSA-N
MW2611.48 g/mol
LogP52.71
Rot. Bonds12

About pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane

pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane (PubChem CID 160839075) has the molecular formula C188H172N6O6 and a molecular weight of 2611.48 g/mol. Its IUPAC name is pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane.

Molecular Properties

Compound Namepentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane
PubChem CID160839075
Molecular FormulaC188H172N6O6
Molecular Weight2611.48 g/mol
Exact Mass2609.33
IUPAC Namepentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2ccccc2c1)c1ccc2cc3ccccc3cc2n1
InChIInChI=1S/5C28H17NO.C24H15NO.12C2H6/c5*30-28(24-10-9-22-13-18-5-1-2-7-20(18)15-25(22)16-24)26-12-11-23-14-19-6-3-4-8-21(19)17-27(23)29-26;26-24(21-10-9-16-5-1-2-6-17(16)14-21)22-12-11-20-13-18-7-3-4-8-19(18)15-23(20)25-22;12*1-2/h5*1-17H;1-15H;12*1-2H3
InChIKeySHUBYXYXFCQLDF-UHFFFAOYSA-N
XLogP52.71
TPSA179.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002611.48
LogP ≤ 552.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane?
The IUPAC name of pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane (CID 160839075) is pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane.
What is the SMILES notation for pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane?
The canonical SMILES for pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1.O=C(c1ccc2ccccc2c1)c1ccc2cc3ccccc3cc2n1.
What is the InChIKey of pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane?
The InChIKey is SHUBYXYXFCQLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/5C28H17NO.C24H15NO.12C2H6/c5*30-28(24-10-9-22-13-18-5-1-2-7-20(18)15-25(22)16-24)26-12-11-23-14-19-6-3-4-8-21(19)17-27(23)29-26;26-24(21-10-9-16-5-1-2-6-17(16)14-21)22-12-11-20-13-18-7-3-4-8-19(18)15-23(20)25-22;12*1-2/h5*1-17H;1-15H;12*1-2H3.
What are the key properties of pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane?
pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane has a molecular weight of 2611.48 g/mol, XLogP of 52.71, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane is sourced from PubChem (CID 160839075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).