2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium

C22H14NY- — CID 155760519

IUPAC2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium
SMILESC1=Cc2cc3ccccc3cc2[N-]c2cc3ccccc3cc21.[Y]
InChIInChI=1S/C22H14N.Y/c1-3-7-17-13-21-19(11-15(17)5-1)9-10-20-12-16-6-2-4-8-18(16)14-22(20)23-21;/h1-14H;/q-1;
InChIKeyXVGRSGOZOHCBKS-UHFFFAOYSA-N
MW381.27 g/mol
LogP6.81
Rot. Bonds

About 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium

2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium (PubChem CID 155760519) has the molecular formula C22H14NY- and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium.

Molecular Properties

Compound Name2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium
PubChem CID155760519
Molecular FormulaC22H14NY-
Molecular Weight381.27 g/mol
Exact Mass381.02
IUPAC Name2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium
SMILESC1=Cc2cc3ccccc3cc2[N-]c2cc3ccccc3cc21.[Y]
InChIInChI=1S/C22H14N.Y/c1-3-7-17-13-21-19(11-15(17)5-1)9-10-20-12-16-6-2-4-8-18(16)14-22(20)23-21;/h1-14H;/q-1;
InChIKeyXVGRSGOZOHCBKS-UHFFFAOYSA-N
XLogP6.81
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylidenecyclopenta[b]naphthalene
CID 12699885
(8Z)-pentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 177396805
anthracene-1,2-dione
CID 160810098
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene
CID 102341942
tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene
CID 143380612
2-phenyl-1H-anthracen-1-ylium
CID 154442136
sodium;anthracene;hydride
CID 173035649

Frequently Asked Questions

What is the IUPAC name of 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium?
The IUPAC name of 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium (CID 155760519) is 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium.
What is the SMILES notation for 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium?
The canonical SMILES for 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium is C1=Cc2cc3ccccc3cc2[N-]c2cc3ccccc3cc21.[Y].
What is the InChIKey of 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium?
The InChIKey is XVGRSGOZOHCBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N.Y/c1-3-7-17-13-21-19(11-15(17)5-1)9-10-20-12-16-6-2-4-8-18(16)14-22(20)23-21;/h1-14H;/q-1;.
What are the key properties of 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium?
2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium has a molecular weight of 381.27 g/mol, XLogP of 6.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium is sourced from PubChem (CID 155760519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).