N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine

C31H23N7 — CID 132513904

IUPACN-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine
SMILESc1cc(CNc2cc3cccnc3c3ncccc23)nc(CNc2cc3cccnc3c3ncccc23)c1
InChIInChI=1S/C31H23N7/c1-8-22(18-36-26-16-20-6-2-12-32-28(20)30-24(26)10-4-14-34-30)38-23(9-1)19-37-27-17-21-7-3-13-33-29(21)31-25(27)11-5-15-35-31/h1-17,36-37H,18-19H2
InChIKeyGIIVLJIUVNOLGX-UHFFFAOYSA-N
MW493.57 g/mol
LogP6.50
Rot. Bonds6

About N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine

N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine (PubChem CID 132513904) has the molecular formula C31H23N7 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine.

Molecular Properties

Compound NameN-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine
PubChem CID132513904
Molecular FormulaC31H23N7
Molecular Weight493.57 g/mol
Exact Mass493.20
IUPAC NameN-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine
SMILESc1cc(CNc2cc3cccnc3c3ncccc23)nc(CNc2cc3cccnc3c3ncccc23)c1
InChIInChI=1S/C31H23N7/c1-8-22(18-36-26-16-20-6-2-12-32-28(20)30-24(26)10-4-14-34-30)38-23(9-1)19-37-27-17-21-7-3-13-33-29(21)31-25(27)11-5-15-35-31/h1-17,36-37H,18-19H2
InChIKeyGIIVLJIUVNOLGX-UHFFFAOYSA-N
XLogP6.50
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine with MolForge

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Related Compounds

N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 62749451
N-[(5-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 81311378
6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 20704834
10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid
CID 68544848
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid
CID 144761202
3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
CID 43731727
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
1-[4-(dimethylamino)phenyl]-3-(1,10-phenanthrolin-5-yl)thiourea
CID 3328210
5-ethynyl-1,10-phenanthroline
CID 10703368

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine?
The IUPAC name of N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine (CID 132513904) is N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine.
What is the SMILES notation for N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine?
The canonical SMILES for N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine is c1cc(CNc2cc3cccnc3c3ncccc23)nc(CNc2cc3cccnc3c3ncccc23)c1.
What is the InChIKey of N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine?
The InChIKey is GIIVLJIUVNOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N7/c1-8-22(18-36-26-16-20-6-2-12-32-28(20)30-24(26)10-4-14-34-30)38-23(9-1)19-37-27-17-21-7-3-13-33-29(21)31-25(27)11-5-15-35-31/h1-17,36-37H,18-19H2.
What are the key properties of N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine?
N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine has a molecular weight of 493.57 g/mol, XLogP of 6.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine is sourced from PubChem (CID 132513904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).