anthracene;1-ethyl-9H-carbazole-3,6-diamine

C28H25N3 — CID 161187316

IUPACanthracene;1-ethyl-9H-carbazole-3,6-diamine
SMILESCCc1cc(N)cc2c1[nH]c1ccc(N)cc12.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H15N3.C14H10/c1-2-8-5-10(16)7-12-11-6-9(15)3-4-13(11)17-14(8)12;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h3-7,17H,2,15-16H2,1H3;1-10H
InChIKeyUTGFUGZUUGEQBA-UHFFFAOYSA-N
MW403.53 g/mol
LogP7.04
Rot. Bonds1

About anthracene;1-ethyl-9H-carbazole-3,6-diamine

anthracene;1-ethyl-9H-carbazole-3,6-diamine (PubChem CID 161187316) has the molecular formula C28H25N3 and a molecular weight of 403.53 g/mol. Its IUPAC name is anthracene;1-ethyl-9H-carbazole-3,6-diamine.

Molecular Properties

Compound Nameanthracene;1-ethyl-9H-carbazole-3,6-diamine
PubChem CID161187316
Molecular FormulaC28H25N3
Molecular Weight403.53 g/mol
Exact Mass403.20
IUPAC Nameanthracene;1-ethyl-9H-carbazole-3,6-diamine
SMILESCCc1cc(N)cc2c1[nH]c1ccc(N)cc12.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H15N3.C14H10/c1-2-8-5-10(16)7-12-11-6-9(15)3-4-13(11)17-14(8)12;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h3-7,17H,2,15-16H2,1H3;1-10H
InChIKeyUTGFUGZUUGEQBA-UHFFFAOYSA-N
XLogP7.04
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dibromo-1-ethyl-9H-carbazole
CID 172559525
1-(3-amino-9H-carbazol-1-yl)-2-methylpropan-2-ol;hydrochloride
CID 121268602
9H-carbazole;9H-carbazole-3,6-diamine
CID 161182207
benzene-1,4-diamine;9H-carbazole-3,6-diamine
CID 155092282
9H-carbazole-3,6-diamine;dihydrochloride
CID 131882609
2-ethylanthracen-1-amine
CID 23131273
6-amino-3-ethyl-1H-quinolin-2-one
CID 172552849
1-ethyl-6-phenylphenanthridine-3,8-diamine
CID 154027213
8-methyl-5,11-dihydroindolo[3,2-b]carbazol-2-amine
CID 123384681
9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride
CID 67674687
4-(1-ethyl-9H-carbazol-3-yl)morpholine
CID 663297
1-propyl-9H-carbazole-3-carbaldehyde
CID 174900118

Frequently Asked Questions

What is the IUPAC name of anthracene;1-ethyl-9H-carbazole-3,6-diamine?
The IUPAC name of anthracene;1-ethyl-9H-carbazole-3,6-diamine (CID 161187316) is anthracene;1-ethyl-9H-carbazole-3,6-diamine.
What is the SMILES notation for anthracene;1-ethyl-9H-carbazole-3,6-diamine?
The canonical SMILES for anthracene;1-ethyl-9H-carbazole-3,6-diamine is CCc1cc(N)cc2c1[nH]c1ccc(N)cc12.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;1-ethyl-9H-carbazole-3,6-diamine?
The InChIKey is UTGFUGZUUGEQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3.C14H10/c1-2-8-5-10(16)7-12-11-6-9(15)3-4-13(11)17-14(8)12;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h3-7,17H,2,15-16H2,1H3;1-10H.
What are the key properties of anthracene;1-ethyl-9H-carbazole-3,6-diamine?
anthracene;1-ethyl-9H-carbazole-3,6-diamine has a molecular weight of 403.53 g/mol, XLogP of 7.04, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;1-ethyl-9H-carbazole-3,6-diamine is sourced from PubChem (CID 161187316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).