anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine

C28H27N5 — CID 159856666

IUPACanthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
SMILESCCn1c2ccc(N)cc2c2cc(N)ccc21.Nc1c2ccccc2c(N)c2ccccc12
InChIInChI=1S/C14H15N3.C14H12N2/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h3-8H,2,15-16H2,1H3;1-8H,15-16H2
InChIKeyNQPRFHYRAOCRFZ-UHFFFAOYSA-N
MW433.56 g/mol
LogP6.14
Rot. Bonds1

About anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine

anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine (PubChem CID 159856666) has the molecular formula C28H27N5 and a molecular weight of 433.56 g/mol. Its IUPAC name is anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine.

Molecular Properties

Compound Nameanthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
PubChem CID159856666
Molecular FormulaC28H27N5
Molecular Weight433.56 g/mol
Exact Mass433.23
IUPAC Nameanthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
SMILESCCn1c2ccc(N)cc2c2cc(N)ccc21.Nc1c2ccccc2c(N)c2ccccc12
InChIInChI=1S/C14H15N3.C14H12N2/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h3-8H,2,15-16H2,1H3;1-8H,15-16H2
InChIKeyNQPRFHYRAOCRFZ-UHFFFAOYSA-N
XLogP6.14
TPSA109.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

acetic acid;9-ethylcarbazol-3-amine
CID 68649355
9-ethylcarbazol-3-amine;naphthalen-1-amine
CID 66872678
9-amino-5-ethylphenanthridin-6-one
CID 10399308
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
anthracene-2,9,10-triamine
CID 46872427
6-amino-9-ethylcarbazole-3-sulfonic acid
CID 134108939
2-(3-aminocarbazol-9-yl)ethanol;hydrochloride
CID 66915381
6-amino-1-ethyl-3-methylquinazoline-2,4-dione
CID 82372186
9-ethylcarbazole;naphthalene-1,3-diamine
CID 175329016
2-amino-5-(methoxymethyl)phenanthridin-6-one
CID 82371155
9-(methoxymethyl)carbazole-3,6-diamine
CID 174533461
9-[(2-bromophenyl)methyl]carbazole-3,6-diamine
CID 132605166

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine?
The IUPAC name of anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine (CID 159856666) is anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine.
What is the SMILES notation for anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine?
The canonical SMILES for anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine is CCn1c2ccc(N)cc2c2cc(N)ccc21.Nc1c2ccccc2c(N)c2ccccc12.
What is the InChIKey of anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine?
The InChIKey is NQPRFHYRAOCRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3.C14H12N2/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h3-8H,2,15-16H2,1H3;1-8H,15-16H2.
What are the key properties of anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine?
anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine has a molecular weight of 433.56 g/mol, XLogP of 6.14, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine is sourced from PubChem (CID 159856666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).