tetrakis(methanediimine);tetracene

C22H20N8 — CID 175029829

IUPACtetrakis(methanediimine);tetracene
SMILESN=C=N.N=C=N.N=C=N.N=C=N.c1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12.4CH2N2/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;4*2-1-3/h1-12H;4*2-3H
InChIKeyKGZCGWWCJBVHJM-UHFFFAOYSA-N
MW396.46 g/mol
LogP6.42
Rot. Bonds

About tetrakis(methanediimine);tetracene

tetrakis(methanediimine);tetracene (PubChem CID 175029829) has the molecular formula C22H20N8 and a molecular weight of 396.46 g/mol. Its IUPAC name is tetrakis(methanediimine);tetracene.

Molecular Properties

Compound Nametetrakis(methanediimine);tetracene
PubChem CID175029829
Molecular FormulaC22H20N8
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Nametetrakis(methanediimine);tetracene
SMILESN=C=N.N=C=N.N=C=N.N=C=N.c1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12.4CH2N2/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;4*2-1-3/h1-12H;4*2-3H
InChIKeyKGZCGWWCJBVHJM-UHFFFAOYSA-N
XLogP6.42
TPSA190.80 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500396.46
LogP ≤ 56.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tetrakis(methanediimine);tetracene 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

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;isocyanic acid
CID 87568323
gold;pentacene
CID 162013118
ethane;pentacene
CID 91470616
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
sodium;anthracene;hydride
CID 173035649
anthracene;benzene;naphthalene
CID 142706236
hexane;isocyanic acid;tetracene
CID 175299920
anthracene;ethane;naphthalene
CID 159079166

Frequently Asked Questions

What is the IUPAC name of tetrakis(methanediimine);tetracene?
The IUPAC name of tetrakis(methanediimine);tetracene (CID 175029829) is tetrakis(methanediimine);tetracene.
What is the SMILES notation for tetrakis(methanediimine);tetracene?
The canonical SMILES for tetrakis(methanediimine);tetracene is N=C=N.N=C=N.N=C=N.N=C=N.c1ccc2cc3cc4ccccc4cc3cc2c1.
What is the InChIKey of tetrakis(methanediimine);tetracene?
The InChIKey is KGZCGWWCJBVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.4CH2N2/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;4*2-1-3/h1-12H;4*2-3H.
What are the key properties of tetrakis(methanediimine);tetracene?
tetrakis(methanediimine);tetracene has a molecular weight of 396.46 g/mol, XLogP of 6.42, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(methanediimine);tetracene is sourced from PubChem (CID 175029829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).