5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine

C67H44N4 — CID 89111240

IUPAC5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1c2ccccc2N(c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(N5c6ccccc6Nc6ccccc65)ccc4c(-c4cc5ccccc5c5ccccc45)c3c2)c2ccccc21
InChIInChI=1S/C67H44N4/c1-69-62-30-14-16-32-64(62)71(65-33-17-15-31-63(65)69)45-35-37-53-57(41-45)67(55-39-43-19-3-5-21-47(43)49-23-7-9-25-51(49)55)52-36-34-44(70-60-28-12-10-26-58(60)68-59-27-11-13-29-61(59)70)40-56(52)66(53)54-38-42-18-2-4-20-46(42)48-22-6-8-24-50(48)54/h2-41,68H,1H3
InChIKeyLSYWOYZRTHDQPT-UHFFFAOYSA-N
MW905.12 g/mol
LogP19.02
Rot. Bonds4

About 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine

5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine (PubChem CID 89111240) has the molecular formula C67H44N4 and a molecular weight of 905.12 g/mol. Its IUPAC name is 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine.

Molecular Properties

Compound Name5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine
PubChem CID89111240
Molecular FormulaC67H44N4
Molecular Weight905.12 g/mol
Exact Mass904.36
IUPAC Name5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1c2ccccc2N(c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(N5c6ccccc6Nc6ccccc65)ccc4c(-c4cc5ccccc5c5ccccc45)c3c2)c2ccccc21
InChIInChI=1S/C67H44N4/c1-69-62-30-14-16-32-64(62)71(65-33-17-15-31-63(65)69)45-35-37-53-57(41-45)67(55-39-43-19-3-5-21-47(43)49-23-7-9-25-51(49)55)52-36-34-44(70-60-28-12-10-26-58(60)68-59-27-11-13-29-61(59)70)40-56(52)66(53)54-38-42-18-2-4-20-46(42)48-22-6-8-24-50(48)54/h2-41,68H,1H3
InChIKeyLSYWOYZRTHDQPT-UHFFFAOYSA-N
XLogP19.02
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.12
LogP ≤ 519.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

11-[6-benzo[b][1]benzazepin-11-yl-9,10-di(phenanthren-9-yl)anthracen-2-yl]benzo[b][1]benzazepine
CID 59220256
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine
CID 59220247
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916
5-[9,10-di(dibenzothiophen-1-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 59219918
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine
CID 59220088
5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 59219640
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220680
2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline
CID 59220123
9-[6-carbazol-9-yl-9,10-di(phenanthren-9-yl)anthracen-2-yl]carbazole
CID 59220270
5-methyl-10-[6-(10-methylphenazin-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]phenazine
CID 59220299
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59219992

Frequently Asked Questions

What is the IUPAC name of 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The IUPAC name of 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine (CID 89111240) is 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine.
What is the SMILES notation for 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The canonical SMILES for 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine is CN1c2ccccc2N(c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(N5c6ccccc6Nc6ccccc65)ccc4c(-c4cc5ccccc5c5ccccc45)c3c2)c2ccccc21.
What is the InChIKey of 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The InChIKey is LSYWOYZRTHDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N4/c1-69-62-30-14-16-32-64(62)71(65-33-17-15-31-63(65)69)45-35-37-53-57(41-45)67(55-39-43-19-3-5-21-47(43)49-23-7-9-25-51(49)55)52-36-34-44(70-60-28-12-10-26-58(60)68-59-27-11-13-29-61(59)70)40-56(52)66(53)54-38-42-18-2-4-20-46(42)48-22-6-8-24-50(48)54/h2-41,68H,1H3.
What are the key properties of 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine has a molecular weight of 905.12 g/mol, XLogP of 19.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine is sourced from PubChem (CID 89111240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).