N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide

C52H36N6 — CID 155085162

IUPACN'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide
SMILESC=C/C(=N\C(=N\C(=C)c1ccc(-c2ccnc3c2ccc2cccnc23)cc1)c1ccc2c(c1)CCC=C2)c1ccc(-c2ccnc3c2ccc2cccnc23)cc1
InChIInChI=1S/C52H36N6/c1-3-47(38-19-17-37(18-20-38)44-27-31-56-51-46(44)25-23-40-11-7-29-54-49(40)51)58-52(42-21-14-35-8-4-5-9-41(35)32-42)57-33(2)34-12-15-36(16-13-34)43-26-30-55-50-45(43)24-22-39-10-6-28-53-48(39)50/h3-4,6-8,10-32H,1-2,5,9H2/b57-52+,58-47+
InChIKeyVMXKZSWBYCDHEI-WCOPAVQUSA-N
MW744.90 g/mol
LogP12.27
Rot. Bonds7

About N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide

N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide (PubChem CID 155085162) has the molecular formula C52H36N6 and a molecular weight of 744.90 g/mol. Its IUPAC name is N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide
PubChem CID155085162
Molecular FormulaC52H36N6
Molecular Weight744.90 g/mol
Exact Mass744.30
IUPAC NameN'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide
SMILESC=C/C(=N\C(=N\C(=C)c1ccc(-c2ccnc3c2ccc2cccnc23)cc1)c1ccc2c(c1)CCC=C2)c1ccc(-c2ccnc3c2ccc2cccnc23)cc1
InChIInChI=1S/C52H36N6/c1-3-47(38-19-17-37(18-20-38)44-27-31-56-51-46(44)25-23-40-11-7-29-54-49(40)51)58-52(42-21-14-35-8-4-5-9-41(35)32-42)57-33(2)34-12-15-36(16-13-34)43-26-30-55-50-45(43)24-22-39-10-6-28-53-48(39)50/h3-4,6-8,10-32H,1-2,5,9H2/b57-52+,58-47+
InChIKeyVMXKZSWBYCDHEI-WCOPAVQUSA-N
XLogP12.27
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.90
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide with MolForge

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Related Compounds

4-[6-[4-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 137484448
4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
CID 145180186
4-[3-[4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484515
2-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),11,15,17,19,21,23,25-dodecaenyl)-1,10-phenanthroline
CID 89139437
4-(2-methylquinolin-6-yl)-1,10-phenanthroline
CID 145180172
4-cyclohepta-1,3,6-trien-1-yl-1,10-phenanthroline
CID 143388757
4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 160846068
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline
CID 129201375
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179
N'-[1-[3-(8,9-dihydrodibenzothiophen-3-yl)-5-(9,10-dihydro-1,10-phenanthrolin-2-yl)phenyl]ethenyl]-4-phenyl-N-(1-phenylethylidene)benzenecarboximidamide
CID 154954945
4-[4-[6-(2-pyren-1-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 129208858
21-[4-[7-(1,10-phenanthrolin-4-yl)-4b,8a-dihydrotriphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,21-decaene
CID 146231160

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide?
The IUPAC name of N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide (CID 155085162) is N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide.
What is the SMILES notation for N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide?
The canonical SMILES for N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide is C=C/C(=N\C(=N\C(=C)c1ccc(-c2ccnc3c2ccc2cccnc23)cc1)c1ccc2c(c1)CCC=C2)c1ccc(-c2ccnc3c2ccc2cccnc23)cc1.
What is the InChIKey of N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide?
The InChIKey is VMXKZSWBYCDHEI-WCOPAVQUSA-N. The full InChI is InChI=1S/C52H36N6/c1-3-47(38-19-17-37(18-20-38)44-27-31-56-51-46(44)25-23-40-11-7-29-54-49(40)51)58-52(42-21-14-35-8-4-5-9-41(35)32-42)57-33(2)34-12-15-36(16-13-34)43-26-30-55-50-45(43)24-22-39-10-6-28-53-48(39)50/h3-4,6-8,10-32H,1-2,5,9H2/b57-52+,58-47+.
What are the key properties of N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide?
N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide has a molecular weight of 744.90 g/mol, XLogP of 12.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide is sourced from PubChem (CID 155085162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).