anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene

C157H108N4O2S2 — CID 160833230

IUPACanthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene
SMILESc1cc2ccc3cccc4ccc(c1)c2c34.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3[nH]ccc3cc2c1.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3cocc3cc2c1.c1ccc2cc3cscc3cc2c1.c1ccc2cc3ncccc3cc2c1.c1ccc2cc3nccnc3cc2c1.c1ccc2cc3occc3cc2c1.c1ccc2cc3sccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C18H12.C16H10.2C14H10.C13H9N.C12H8N2.C12H9N.2C12H8O.2C12H8S.C10H8/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;1-2-6-10-8-4-3-7-9(10)5-1/h1-12H;1-10H;2*1-10H;1-9H;1-8H;1-8,13H;4*1-8H;1-8H
InChIKeySHBQNGDCNPDHSF-UHFFFAOYSA-N
MW2146.75 g/mol
LogP45.33
Rot. Bonds

About anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene

anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene (PubChem CID 160833230) has the molecular formula C157H108N4O2S2 and a molecular weight of 2146.75 g/mol. Its IUPAC name is anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene.

Molecular Properties

Compound Nameanthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene
PubChem CID160833230
Molecular FormulaC157H108N4O2S2
Molecular Weight2146.75 g/mol
Exact Mass2144.79
IUPAC Nameanthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene
SMILESc1cc2ccc3cccc4ccc(c1)c2c34.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3[nH]ccc3cc2c1.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3cocc3cc2c1.c1ccc2cc3cscc3cc2c1.c1ccc2cc3ncccc3cc2c1.c1ccc2cc3nccnc3cc2c1.c1ccc2cc3occc3cc2c1.c1ccc2cc3sccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C18H12.C16H10.2C14H10.C13H9N.C12H8N2.C12H9N.2C12H8O.2C12H8S.C10H8/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;1-2-6-10-8-4-3-7-9(10)5-1/h1-12H;1-10H;2*1-10H;1-9H;1-8H;1-8,13H;4*1-8H;1-8H
InChIKeySHBQNGDCNPDHSF-UHFFFAOYSA-N
XLogP45.33
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002146.75
LogP ≤ 545.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene?
The IUPAC name of anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene (CID 160833230) is anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene.
What is the SMILES notation for anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene?
The canonical SMILES for anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene is c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3[nH]ccc3cc2c1.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3cocc3cc2c1.c1ccc2cc3cscc3cc2c1.c1ccc2cc3ncccc3cc2c1.c1ccc2cc3nccnc3cc2c1.c1ccc2cc3occc3cc2c1.c1ccc2cc3sccc3cc2c1.c1ccc2ccccc2c1.
What is the InChIKey of anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene?
The InChIKey is SHBQNGDCNPDHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C16H10.2C14H10.C13H9N.C12H8N2.C12H9N.2C12H8O.2C12H8S.C10H8/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;1-2-6-10-8-4-3-7-9(10)5-1/h1-12H;1-10H;2*1-10H;1-9H;1-8H;1-8,13H;4*1-8H;1-8H.
What are the key properties of anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene?
anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene has a molecular weight of 2146.75 g/mol, XLogP of 45.33, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzo[f][1]benzofuran;benzo[f][2]benzofuran;benzo[f][1]benzothiole;benzo[f][2]benzothiole;1H-benzo[f]indole;benzo[g]quinoline;benzo[g]quinoxaline;naphthalene;phenanthrene;pyrene;tetracene is sourced from PubChem (CID 160833230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).