2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline

C62H42N6 — CID 59219881

IUPAC2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline
SMILESCN1c2ccccc2N(c2ccc3c(-c4ccc5ccc6cccnc6c5n4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21
InChIInChI=1S/C62H42N6/c1-65-51-17-5-9-21-55(51)67(56-22-10-6-18-52(56)65)44-31-33-47-48(37-44)59(43-28-25-39-14-3-4-15-42(39)36-43)46-32-30-45(68-57-23-11-7-19-53(57)66(2)54-20-8-12-24-58(54)68)38-49(46)60(47)50-34-29-41-27-26-40-16-13-35-63-61(40)62(41)64-50/h3-38H,1-2H3
InChIKeyJGQYCIIDNPGMSD-UHFFFAOYSA-N
MW871.06 g/mol
LogP16.68
Rot. Bonds4

About 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline

2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline (PubChem CID 59219881) has the molecular formula C62H42N6 and a molecular weight of 871.06 g/mol. Its IUPAC name is 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline
PubChem CID59219881
Molecular FormulaC62H42N6
Molecular Weight871.06 g/mol
Exact Mass870.35
IUPAC Name2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline
SMILESCN1c2ccccc2N(c2ccc3c(-c4ccc5ccc6cccnc6c5n4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21
InChIInChI=1S/C62H42N6/c1-65-51-17-5-9-21-55(51)67(56-22-10-6-18-52(56)65)44-31-33-47-48(37-44)59(43-28-25-39-14-3-4-15-42(39)36-43)46-32-30-45(68-57-23-11-7-19-53(57)66(2)54-20-8-12-24-58(54)68)38-49(46)60(47)50-34-29-41-27-26-40-16-13-35-63-61(40)62(41)64-50/h3-38H,1-2H3
InChIKeyJGQYCIIDNPGMSD-UHFFFAOYSA-N
XLogP16.68
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.06
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265
4-Methyl-1,10-phenanthroline
CID 93149
5,6-Dimethyl-1,10-phenanthroline
CID 76357
2-Methyl-1,10-phenanthroline
CID 4913356
2,3-Dipyridyl-6,7-dimethylquinoxaline
CID 81109
3-Methyl-1,10-phenanthroline
CID 15783796
1,10-Phenanthroline ferrous sulfate
CID 84567
Quinoprazine
CID 159481
Dibenzo(f,h)quinoxaline
CID 252644

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline?
The IUPAC name of 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline (CID 59219881) is 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline is CN1c2ccccc2N(c2ccc3c(-c4ccc5ccc6cccnc6c5n4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21.
What is the InChIKey of 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline?
The InChIKey is JGQYCIIDNPGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N6/c1-65-51-17-5-9-21-55(51)67(56-22-10-6-18-52(56)65)44-31-33-47-48(37-44)59(43-28-25-39-14-3-4-15-42(39)36-43)46-32-30-45(68-57-23-11-7-19-53(57)66(2)54-20-8-12-24-58(54)68)38-49(46)60(47)50-34-29-41-27-26-40-16-13-35-63-61(40)62(41)64-50/h3-38H,1-2H3.
What are the key properties of 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline?
2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline has a molecular weight of 871.06 g/mol, XLogP of 16.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline is sourced from PubChem (CID 59219881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).