5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine

C58H42N6 — CID 89110896

IUPAC5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1C2=C(C=CCC2)N(c2ccc3c(-c4nccc5ccccc45)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4nccc5ccccc45)c3c2)c2ccccc21
InChIInChI=1S/C58H42N6/c1-61-47-19-7-11-23-51(47)63(52-24-12-8-20-48(52)61)39-27-29-43-45(35-39)55(57-41-17-5-3-15-37(41)31-33-59-57)44-30-28-40(36-46(44)56(43)58-42-18-6-4-16-38(42)32-34-60-58)64-53-25-13-9-21-49(53)62(2)50-22-10-14-26-54(50)64/h3-9,11-21,23-36H,10,22H2,1-2H3
InChIKeyZWYDWFHLAQBXKY-UHFFFAOYSA-N
MW823.02 g/mol
LogP15.12
Rot. Bonds4

About 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine

5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine (PubChem CID 89110896) has the molecular formula C58H42N6 and a molecular weight of 823.02 g/mol. Its IUPAC name is 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine.

Molecular Properties

Compound Name5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
PubChem CID89110896
Molecular FormulaC58H42N6
Molecular Weight823.02 g/mol
Exact Mass822.35
IUPAC Name5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1C2=C(C=CCC2)N(c2ccc3c(-c4nccc5ccccc45)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4nccc5ccccc45)c3c2)c2ccccc21
InChIInChI=1S/C58H42N6/c1-61-47-19-7-11-23-51(47)63(52-24-12-8-20-48(52)61)39-27-29-43-45(35-39)55(57-41-17-5-3-15-37(41)31-33-59-57)44-30-28-40(36-46(44)56(43)58-42-18-6-4-16-38(42)32-34-60-58)64-53-25-13-9-21-49(53)62(2)50-22-10-14-26-54(50)64/h3-9,11-21,23-36H,10,22H2,1-2H3
InChIKeyZWYDWFHLAQBXKY-UHFFFAOYSA-N
XLogP15.12
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.02
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-[6-(4,9-dihydro-3H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine
CID 89000018
5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89111108
10-[6-(9H-acridin-10-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-9H-acridine
CID 59220904
5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine
CID 163720224
10-[6-(1,2-dihydrophenothiazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-isoquinolin-1-ylanthracen-2-yl]-3,4-dihydrophenothiazine
CID 89111220
5-methyl-10-[6-(10-methylphenazin-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]phenazine
CID 59220299
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916
2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline
CID 59220123
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine
CID 59220247
10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]
CID 89110991
11-[9-naphthalen-1-yl-10-phenyl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6,7,8-tetrahydrobenzo[b][1]benzazepine
CID 89111273
11-[9-(4-naphthalen-2-ylphenyl)-10-phenyl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89111113

Frequently Asked Questions

What is the IUPAC name of 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The IUPAC name of 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine (CID 89110896) is 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine.
What is the SMILES notation for 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The canonical SMILES for 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine is CN1C2=C(C=CCC2)N(c2ccc3c(-c4nccc5ccccc45)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4nccc5ccccc45)c3c2)c2ccccc21.
What is the InChIKey of 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The InChIKey is ZWYDWFHLAQBXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N6/c1-61-47-19-7-11-23-51(47)63(52-24-12-8-20-48(52)61)39-27-29-43-45(35-39)55(57-41-17-5-3-15-37(41)31-33-59-57)44-30-28-40(36-46(44)56(43)58-42-18-6-4-16-38(42)32-34-60-58)64-53-25-13-9-21-49(53)62(2)50-22-10-14-26-54(50)64/h3-9,11-21,23-36H,10,22H2,1-2H3.
What are the key properties of 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine has a molecular weight of 823.02 g/mol, XLogP of 15.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine is sourced from PubChem (CID 89110896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).