[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine

C26H22N4 — CID 19783563

IUPAC[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine
SMILESNCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(CN)nc3c2n1
InChIInChI=1S/C26H22N4/c27-15-19-13-23(17-7-3-1-4-8-17)21-11-12-22-24(18-9-5-2-6-10-18)14-20(16-28)30-26(22)25(21)29-19/h1-14H,15-16,27-28H2
InChIKeyMHPJRAILWDODOR-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.03
Rot. Bonds4

About [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine

[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine (PubChem CID 19783563) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine.

Molecular Properties

Compound Name[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine
PubChem CID19783563
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine
SMILESNCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(CN)nc3c2n1
InChIInChI=1S/C26H22N4/c27-15-19-13-23(17-7-3-1-4-8-17)21-11-12-22-24(18-9-5-2-6-10-18)14-20(16-28)30-26(22)25(21)29-19/h1-14H,15-16,27-28H2
InChIKeyMHPJRAILWDODOR-UHFFFAOYSA-N
XLogP5.03
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline
CID 142200622
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
4,7-diphenyl-2-propyl-1,10-phenanthroline
CID 123268572
4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline
CID 171419102
benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine)
CID 159656051
4-methyl-N-[[9-[[(4-methylphenyl)sulfonylamino]methyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]methyl]benzenesulfonamide
CID 19783564
7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline
CID 174365415
2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
2,9-bis(3-ethylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405080
13,18,32,37-tetraphenyl-39,42,44,47-tetrazanonacyclo[28.8.4.411,20.14,8.123,27.033,41.036,40.014,46.017,45]octatetraconta-1(38),2,4(48),5,7,9,11,13,15,17,19,21,23,25,27(43),28,30,32,34,36,39,41,44,46-tetracosaene
CID 177400825

Frequently Asked Questions

What is the IUPAC name of [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine?
The IUPAC name of [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine (CID 19783563) is [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine.
What is the SMILES notation for [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine?
The canonical SMILES for [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine is NCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(CN)nc3c2n1.
What is the InChIKey of [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine?
The InChIKey is MHPJRAILWDODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c27-15-19-13-23(17-7-3-1-4-8-17)21-11-12-22-24(18-9-5-2-6-10-18)14-20(16-28)30-26(22)25(21)29-19/h1-14H,15-16,27-28H2.
What are the key properties of [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine?
[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine has a molecular weight of 390.49 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine is sourced from PubChem (CID 19783563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).