anthracene-2,9,10-triamine

C14H13N3 — CID 46872427

IUPACanthracene-2,9,10-triamine
SMILESNc1ccc2c(N)c3ccccc3c(N)c2c1
InChIInChI=1S/C14H13N3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15-17H2
InChIKeyIEYFLQUHUBVMFY-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.74
Rot. Bonds

About anthracene-2,9,10-triamine

anthracene-2,9,10-triamine (PubChem CID 46872427) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is anthracene-2,9,10-triamine.

Molecular Properties

Compound Nameanthracene-2,9,10-triamine
PubChem CID46872427
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Nameanthracene-2,9,10-triamine
SMILESNc1ccc2c(N)c3ccccc3c(N)c2c1
InChIInChI=1S/C14H13N3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15-17H2
InChIKeyIEYFLQUHUBVMFY-UHFFFAOYSA-N
XLogP2.74
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-Naphthylamine
CID 8640
2-Naphthylamine
CID 7057
2-Aminoanthracene
CID 11937
1,5-Diaminonaphthalene
CID 16720
2,4,5-Trimethylaniline
CID 8717
Yellow No. 2
CID 6824
1,8-Diaminonaphthalene
CID 68067
1-Aminopyrene
CID 15352
1-Aminoanthracene
CID 11885
1-Naphthalenamine, 4-(phenylazo)-
CID 8562
6-Aminochrysene
CID 17534
1-(2-(2-Methylphenyl)diazenyl)-2-naphthalenamine
CID 8578

Frequently Asked Questions

What is the IUPAC name of anthracene-2,9,10-triamine?
The IUPAC name of anthracene-2,9,10-triamine (CID 46872427) is anthracene-2,9,10-triamine.
What is the SMILES notation for anthracene-2,9,10-triamine?
The canonical SMILES for anthracene-2,9,10-triamine is Nc1ccc2c(N)c3ccccc3c(N)c2c1.
What is the InChIKey of anthracene-2,9,10-triamine?
The InChIKey is IEYFLQUHUBVMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15-17H2.
What are the key properties of anthracene-2,9,10-triamine?
anthracene-2,9,10-triamine has a molecular weight of 223.28 g/mol, XLogP of 2.74, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-2,9,10-triamine is sourced from PubChem (CID 46872427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).