anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium

C134H168N18Y-2 — CID 160766407

IUPACanthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium
SMILESC1=NCc2ccccc21.C1=Nc2c(ccc3ccccc23)C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.C1=Nc2nccnc2C1.C1=Nc2ncncc2C1.C1=c2ccccc2=NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[CH2-]Cc1[c-]cccc1.[Y].c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C14H10.C12H9N.C10H8.3C8H7N.C8H8.4C7H6N2.2C6H5N3.13C2H6.Y/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-8-6-4-3-5-7-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-8-6-5(1)3-7-4-9-6;1-2-8-6-5(1)7-3-4-9-6;13*1-2;/h1-10H;1-6,8H,7H2;1-8H;1-5H,6H2;1-4,6H,5H2;1-5H,6H2;3-6H,1-2H2;2-5H,1H2;1,3-5H,2H2;2*1-2,4-5H,3H2;2*2-4H,1H2;13*1-2H3;/q;;;;;;-2;;;;;;;;;;;;;;;;;;;;
InChIKeySYOAJKOSWLKNLN-UHFFFAOYSA-N
MW2119.85 g/mol
LogP35.63
Rot. Bonds1

About anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium

anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium (PubChem CID 160766407) has the molecular formula C134H168N18Y-2 and a molecular weight of 2119.85 g/mol. Its IUPAC name is anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium.

Molecular Properties

Compound Nameanthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium
PubChem CID160766407
Molecular FormulaC134H168N18Y-2
Molecular Weight2119.85 g/mol
Exact Mass2118.28
IUPAC Nameanthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium
SMILESC1=NCc2ccccc21.C1=Nc2c(ccc3ccccc23)C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.C1=Nc2nccnc2C1.C1=Nc2ncncc2C1.C1=c2ccccc2=NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[CH2-]Cc1[c-]cccc1.[Y].c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C14H10.C12H9N.C10H8.3C8H7N.C8H8.4C7H6N2.2C6H5N3.13C2H6.Y/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-8-6-4-3-5-7-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-8-6-5(1)3-7-4-9-6;1-2-8-6-5(1)7-3-4-9-6;13*1-2;/h1-10H;1-6,8H,7H2;1-8H;1-5H,6H2;1-4,6H,5H2;1-5H,6H2;3-6H,1-2H2;2-5H,1H2;1,3-5H,2H2;2*1-2,4-5H,3H2;2*2-4H,1H2;13*1-2H3;/q;;;;;;-2;;;;;;;;;;;;;;;;;;;;
InChIKeySYOAJKOSWLKNLN-UHFFFAOYSA-N
XLogP35.63
TPSA226.72 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds1
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002119.85
LogP ≤ 535.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium with MolForge

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Related Compounds

3H-benzo[g]indole;5,6-dimethanidylidenecyclohexa-1,3-diene;ethane;phenylbenzene;3H-pyrrolo[3,2-c]isoquinoline;bis(yttrium)
CID 160909185
3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine;3a,7a-dihydro-3H-pyrrolo[3,2-c]pyridine;3a,7a-dihydro-3H-pyrrolo[2,3-d]pyridazine;7,7a-dihydro-4aH-pyrrolo[2,3-b]pyrazine;5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine;ethane;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-c]pyridine;7H-pyrrolo[3,2-d]pyrimidine
CID 159926538
1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine
CID 165001451
3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium
CID 159305511
7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine
CID 158046959
cyclopenta-1,3-diene;ethane;3H-indazole;1H-indene;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinoline;quinoxaline;2H-triazole
CID 157381332
1,2-benzothiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;isoquinoline;(2-methylpropane);3H-pyrrolo[3,2-b]pyridine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[5,4-b]pyridine
CID 157409112
ethane;methane;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-3H-indazole;5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylpyridine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,9-tetrahydro-1H-fluorene
CID 165036059
methane;2-piperidin-1-yl-3H-indole;2-piperidin-1-yl-3H-pyrrolo[2,3-b]pyridine;2-piperidin-1-yl-3H-pyrrolo[3,2-b]pyridine;2-piperidin-1-yl-3H-pyrrolo[2,3-c]pyridine;2-piperidin-1-yl-3H-pyrrolo[3,2-c]pyridine;6-piperidin-1-yl-7H-pyrrolo[3,2-d]pyrimidine;4-(5H-pyrrolo[2,3-d]pyrimidin-6-yl)morpholine
CID 164985576
5H-cyclopenta[b]pyridine;bis(7H-cyclopenta[b]pyridine);bis(7H-cyclopenta[c]pyridine);hexadecakis(2,2-dimethylpropane);imidazo[1,2-a]pyridine;naphthalene;1H-pyrazolo[5,4-c]pyridine;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline
CID 158640547
cinnoline;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 162034088
11H-pyrido[3,2-c][2]benzazepine
CID 70634611

Frequently Asked Questions

What is the IUPAC name of anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium?
The IUPAC name of anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium (CID 160766407) is anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium.
What is the SMILES notation for anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium?
The canonical SMILES for anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium is C1=NCc2ccccc21.C1=Nc2c(ccc3ccccc23)C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.C1=Nc2nccnc2C1.C1=Nc2ncncc2C1.C1=c2ccccc2=NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[CH2-]Cc1[c-]cccc1.[Y].c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.
What is the InChIKey of anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium?
The InChIKey is SYOAJKOSWLKNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C12H9N.C10H8.3C8H7N.C8H8.4C7H6N2.2C6H5N3.13C2H6.Y/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-8-6-4-3-5-7-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-8-6-5(1)3-7-4-9-6;1-2-8-6-5(1)7-3-4-9-6;13*1-2;/h1-10H;1-6,8H,7H2;1-8H;1-5H,6H2;1-4,6H,5H2;1-5H,6H2;3-6H,1-2H2;2-5H,1H2;1,3-5H,2H2;2*1-2,4-5H,3H2;2*2-4H,1H2;13*1-2H3;/q;;;;;;-2;;;;;;;;;;;;;;;;;;;;.
What are the key properties of anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium?
anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium has a molecular weight of 2119.85 g/mol, XLogP of 35.63, 1 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;3H-benzo[g]indole;ethane;ethylbenzene;2H-indole;3H-indole;1H-isoindole;naphthalene;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[2,3-d]pyrimidine;yttrium is sourced from PubChem (CID 160766407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).