1-ethyl-6-phenylphenanthridine-3,8-diamine

C21H19N3 — CID 154027213

IUPAC1-ethyl-6-phenylphenanthridine-3,8-diamine
SMILESCCc1cc(N)cc2nc(-c3ccccc3)c3cc(N)ccc3c12
InChIInChI=1S/C21H19N3/c1-2-13-10-16(23)12-19-20(13)17-9-8-15(22)11-18(17)21(24-19)14-6-4-3-5-7-14/h3-12H,2,22-23H2,1H3
InChIKeyCPZBBKHLRXICQX-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.78
Rot. Bonds2

About 1-ethyl-6-phenylphenanthridine-3,8-diamine

1-ethyl-6-phenylphenanthridine-3,8-diamine (PubChem CID 154027213) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-ethyl-6-phenylphenanthridine-3,8-diamine.

Molecular Properties

Compound Name1-ethyl-6-phenylphenanthridine-3,8-diamine
PubChem CID154027213
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name1-ethyl-6-phenylphenanthridine-3,8-diamine
SMILESCCc1cc(N)cc2nc(-c3ccccc3)c3cc(N)ccc3c12
InChIInChI=1S/C21H19N3/c1-2-13-10-16(23)12-19-20(13)17-9-8-15(22)11-18(17)21(24-19)14-6-4-3-5-7-14/h3-12H,2,22-23H2,1H3
InChIKeyCPZBBKHLRXICQX-UHFFFAOYSA-N
XLogP4.78
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

anthracene;1-ethyl-9H-carbazole-3,6-diamine
CID 161187316
3-but-3-enyl-2-phenylquinoxalin-6-amine
CID 134312152
22-phenyl-21-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 102575724
5,7-diethyl-2-phenylquinoline
CID 170528035
2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
CID 21283577
3-N,8-N-dimethyl-6-phenylphenanthridine-3,8-diamine
CID 21124518
6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid
CID 94962038
3-phenyl-1H-indazol-6-amine
CID 18616705
3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
CID 43823131
5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine
CID 126656197
5-ethylquinolin-2-amine
CID 59551845
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-phenylphenanthridine-3,8-diamine?
The IUPAC name of 1-ethyl-6-phenylphenanthridine-3,8-diamine (CID 154027213) is 1-ethyl-6-phenylphenanthridine-3,8-diamine.
What is the SMILES notation for 1-ethyl-6-phenylphenanthridine-3,8-diamine?
The canonical SMILES for 1-ethyl-6-phenylphenanthridine-3,8-diamine is CCc1cc(N)cc2nc(-c3ccccc3)c3cc(N)ccc3c12.
What is the InChIKey of 1-ethyl-6-phenylphenanthridine-3,8-diamine?
The InChIKey is CPZBBKHLRXICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-2-13-10-16(23)12-19-20(13)17-9-8-15(22)11-18(17)21(24-19)14-6-4-3-5-7-14/h3-12H,2,22-23H2,1H3.
What are the key properties of 1-ethyl-6-phenylphenanthridine-3,8-diamine?
1-ethyl-6-phenylphenanthridine-3,8-diamine has a molecular weight of 313.40 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-phenylphenanthridine-3,8-diamine is sourced from PubChem (CID 154027213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).