5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine

C60H42N4 — CID 59220458

IUPAC5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine
SMILESCN1c2ccccc2N(c2cccc3c(-c4cccc5ccccc45)c4c(N5c6ccccc6N(C)c6ccccc65)cccc4c(-c4cccc5ccccc45)c23)c2ccccc21
InChIInChI=1S/C60H42N4/c1-61-47-29-7-11-33-51(47)63(52-34-12-8-30-48(52)61)55-37-17-27-45-58(44-26-16-22-40-20-4-6-24-42(40)44)60-46(57(59(45)55)43-25-15-21-39-19-3-5-23-41(39)43)28-18-38-56(60)64-53-35-13-9-31-49(53)62(2)50-32-10-14-36-54(50)64/h3-38H,1-2H3
InChIKeyBVWUXUJNBBYROF-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.74
Rot. Bonds4

About 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine

5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine (PubChem CID 59220458) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine.

Molecular Properties

Compound Name5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine
PubChem CID59220458
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC Name5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine
SMILESCN1c2ccccc2N(c2cccc3c(-c4cccc5ccccc45)c4c(N5c6ccccc6N(C)c6ccccc65)cccc4c(-c4cccc5ccccc45)c23)c2ccccc21
InChIInChI=1S/C60H42N4/c1-61-47-29-7-11-33-51(47)63(52-34-12-8-30-48(52)61)55-37-17-27-45-58(44-26-16-22-40-20-4-6-24-42(40)44)60-46(57(59(45)55)43-25-15-21-39-19-3-5-23-41(39)43)28-18-38-56(60)64-53-35-13-9-31-49(53)62(2)50-32-10-14-36-54(50)64/h3-38H,1-2H3
InChIKeyBVWUXUJNBBYROF-UHFFFAOYSA-N
XLogP16.74
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
CID 163788031
18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene
CID 58185016
5,10-dimethyl-2-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenazine
CID 59196635
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine?
The IUPAC name of 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine (CID 59220458) is 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine.
What is the SMILES notation for 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine?
The canonical SMILES for 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine is CN1c2ccccc2N(c2cccc3c(-c4cccc5ccccc45)c4c(N5c6ccccc6N(C)c6ccccc65)cccc4c(-c4cccc5ccccc45)c23)c2ccccc21.
What is the InChIKey of 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine?
The InChIKey is BVWUXUJNBBYROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-61-47-29-7-11-33-51(47)63(52-34-12-8-30-48(52)61)55-37-17-27-45-58(44-26-16-22-40-20-4-6-24-42(40)44)60-46(57(59(45)55)43-25-15-21-39-19-3-5-23-41(39)43)28-18-38-56(60)64-53-35-13-9-31-49(53)62(2)50-32-10-14-36-54(50)64/h3-38H,1-2H3.
What are the key properties of 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine?
5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine has a molecular weight of 819.02 g/mol, XLogP of 16.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine is sourced from PubChem (CID 59220458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).