3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine

C104H60Cl4N8 — CID 157068729

IUPAC3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine
SMILESClc1ccc2c(-c3cnc4c5ccccc5c5ccccc5c4n3)cccc2c1.Clc1ccc2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc2c1.Clc1ccc2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2c1.Clc1cccc2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc12
InChIInChI=1S/4C26H15ClN2/c27-17-12-13-18-16(14-17)6-5-11-21(18)24-15-28-25-22-9-3-1-7-19(22)20-8-2-4-10-23(20)26(25)29-24;27-23-11-5-6-16-14-17(12-13-18(16)23)24-15-28-25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)26(25)29-24;27-19-12-11-16-13-18(10-9-17(16)14-19)24-15-28-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26(25)29-24;27-19-12-11-16-9-10-17(13-18(16)14-19)24-15-28-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26(25)29-24/h4*1-15H
InChIKeyACEISAVGMZCYQW-UHFFFAOYSA-N
MW1563.49 g/mol
LogP29.64
Rot. Bonds4

About 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine

3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine (PubChem CID 157068729) has the molecular formula C104H60Cl4N8 and a molecular weight of 1563.49 g/mol. Its IUPAC name is 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine
PubChem CID157068729
Molecular FormulaC104H60Cl4N8
Molecular Weight1563.49 g/mol
Exact Mass1560.37
IUPAC Name3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine
SMILESClc1ccc2c(-c3cnc4c5ccccc5c5ccccc5c4n3)cccc2c1.Clc1ccc2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc2c1.Clc1ccc2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2c1.Clc1cccc2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc12
InChIInChI=1S/4C26H15ClN2/c27-17-12-13-18-16(14-17)6-5-11-21(18)24-15-28-25-22-9-3-1-7-19(22)20-8-2-4-10-23(20)26(25)29-24;27-23-11-5-6-16-14-17(12-13-18(16)23)24-15-28-25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)26(25)29-24;27-19-12-11-16-13-18(10-9-17(16)14-19)24-15-28-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26(25)29-24;27-19-12-11-16-9-10-17(13-18(16)14-19)24-15-28-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26(25)29-24/h4*1-15H
InChIKeyACEISAVGMZCYQW-UHFFFAOYSA-N
XLogP29.64
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001563.49
LogP ≤ 529.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

Dichlororuthenium--4,7-diphenyl-1,10-phenanthroline (1/3)
CID 11980975
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 162646271
5,10-Bis(4-methylpiperazin-1-yl)-15,18,22-triazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 166629241
5,5'-Bi(1,10-phenanthroline)
CID 15543464
Ru(ddp)
CID 15787787
4,7-Bis(4-naphthalen-2-ylphenyl)-1,10-phenanthroline
CID 21030437
5-[4-(1,10-Phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 102191848
Iron(2+), tris(5-methyl-1,10-phenanthroline-kappaN1,kappaN10)-, perchlorate (1:2)
CID 84970
Rh(Phen)2phi3+
CID 147663
5-Chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline
CID 69261222
2-[4-(6-Fluoro-3-pyridinyl)phenyl]-9-(3-pyren-1-ylphenyl)-1,10-phenanthroline
CID 134167841
9-Fluoro-5-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 137472727

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine (CID 157068729) is 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine is Clc1ccc2c(-c3cnc4c5ccccc5c5ccccc5c4n3)cccc2c1.Clc1ccc2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc2c1.Clc1ccc2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2c1.Clc1cccc2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc12.
What is the InChIKey of 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is ACEISAVGMZCYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H15ClN2/c27-17-12-13-18-16(14-17)6-5-11-21(18)24-15-28-25-22-9-3-1-7-19(22)20-8-2-4-10-23(20)26(25)29-24;27-23-11-5-6-16-14-17(12-13-18(16)23)24-15-28-25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)26(25)29-24;27-19-12-11-16-13-18(10-9-17(16)14-19)24-15-28-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26(25)29-24;27-19-12-11-16-9-10-17(13-18(16)14-19)24-15-28-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26(25)29-24/h4*1-15H.
What are the key properties of 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine?
3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 1563.49 g/mol, XLogP of 29.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(6-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(7-chloronaphthalen-2-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157068729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).