anthracene;benzene-1,2-diamine;ethene

C22H22N2 — CID 161334010

IUPACanthracene;benzene-1,2-diamine;ethene
SMILESC=C.Nc1ccccc1N.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H8N2.C2H4/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-5-3-1-2-4-6(5)8;1-2/h1-10H;1-4H,7-8H2;1-2H2
InChIKeyVLUFZHJQQCVSBZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.65
Rot. Bonds

About anthracene;benzene-1,2-diamine;ethene

anthracene;benzene-1,2-diamine;ethene (PubChem CID 161334010) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is anthracene;benzene-1,2-diamine;ethene.

Molecular Properties

Compound Nameanthracene;benzene-1,2-diamine;ethene
PubChem CID161334010
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Nameanthracene;benzene-1,2-diamine;ethene
SMILESC=C.Nc1ccccc1N.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H8N2.C2H4/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-5-3-1-2-4-6(5)8;1-2/h1-10H;1-4H,7-8H2;1-2H2
InChIKeyVLUFZHJQQCVSBZ-UHFFFAOYSA-N
XLogP5.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracene;benzene-1,2-diamine;ethene?
The IUPAC name of anthracene;benzene-1,2-diamine;ethene (CID 161334010) is anthracene;benzene-1,2-diamine;ethene.
What is the SMILES notation for anthracene;benzene-1,2-diamine;ethene?
The canonical SMILES for anthracene;benzene-1,2-diamine;ethene is C=C.Nc1ccccc1N.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;benzene-1,2-diamine;ethene?
The InChIKey is VLUFZHJQQCVSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C6H8N2.C2H4/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-5-3-1-2-4-6(5)8;1-2/h1-10H;1-4H,7-8H2;1-2H2.
What are the key properties of anthracene;benzene-1,2-diamine;ethene?
anthracene;benzene-1,2-diamine;ethene has a molecular weight of 314.43 g/mol, XLogP of 5.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene-1,2-diamine;ethene is sourced from PubChem (CID 161334010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).