8-nitrotetracen-2-amine

C18H12N2O2 — CID 101022943

IUPAC8-nitrotetracen-2-amine
SMILESNc1ccc2cc3cc4cc([N+](=O)[O-])ccc4cc3cc2c1
InChIInChI=1S/C18H12N2O2/c19-17-3-1-11-5-14-8-16-10-18(20(21)22)4-2-12(16)6-13(14)7-15(11)9-17/h1-10H,19H2
InChIKeyWEHNUOZJOJCMNC-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.64
Rot. Bonds1

About 8-nitrotetracen-2-amine

8-nitrotetracen-2-amine (PubChem CID 101022943) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 8-nitrotetracen-2-amine.

Molecular Properties

Compound Name8-nitrotetracen-2-amine
PubChem CID101022943
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name8-nitrotetracen-2-amine
SMILESNc1ccc2cc3cc4cc([N+](=O)[O-])ccc4cc3cc2c1
InChIInChI=1S/C18H12N2O2/c19-17-3-1-11-5-14-8-16-10-18(20(21)22)4-2-12(16)6-13(14)7-15(11)9-17/h1-10H,19H2
InChIKeyWEHNUOZJOJCMNC-UHFFFAOYSA-N
XLogP4.64
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 8-nitrotetracen-2-amine?
The IUPAC name of 8-nitrotetracen-2-amine (CID 101022943) is 8-nitrotetracen-2-amine.
What is the SMILES notation for 8-nitrotetracen-2-amine?
The canonical SMILES for 8-nitrotetracen-2-amine is Nc1ccc2cc3cc4cc([N+](=O)[O-])ccc4cc3cc2c1.
What is the InChIKey of 8-nitrotetracen-2-amine?
The InChIKey is WEHNUOZJOJCMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-17-3-1-11-5-14-8-16-10-18(20(21)22)4-2-12(16)6-13(14)7-15(11)9-17/h1-10H,19H2.
What are the key properties of 8-nitrotetracen-2-amine?
8-nitrotetracen-2-amine has a molecular weight of 288.31 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitrotetracen-2-amine is sourced from PubChem (CID 101022943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).