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

C64H42N8 — CID 59220123

IUPAC2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline
SMILESCN1c2ccccc2N(c2ccc3c(-c4ccc5ccc6cccnc6c5n4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5ccc6cccnc6c5n4)c3c2)c2ccccc21
InChIInChI=1S/C64H42N8/c1-69-51-15-3-7-19-55(51)71(56-20-8-4-16-52(56)69)43-29-31-45-47(37-43)59(49-33-27-41-25-23-39-13-11-35-65-61(39)63(41)67-49)46-32-30-44(72-57-21-9-5-17-53(57)70(2)54-18-6-10-22-58(54)72)38-48(46)60(45)50-34-28-42-26-24-40-14-12-36-66-62(40)64(42)68-50/h3-38H,1-2H3
InChIKeyUGVIGCMNVLTMST-UHFFFAOYSA-N
MW923.10 g/mol
LogP16.62
Rot. Bonds4

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

2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline (PubChem CID 59220123) has the molecular formula C64H42N8 and a molecular weight of 923.10 g/mol. Its IUPAC name is 2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline
PubChem CID59220123
Molecular FormulaC64H42N8
Molecular Weight923.10 g/mol
Exact Mass922.35
IUPAC Name2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline
SMILESCN1c2ccccc2N(c2ccc3c(-c4ccc5ccc6cccnc6c5n4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5ccc6cccnc6c5n4)c3c2)c2ccccc21
InChIInChI=1S/C64H42N8/c1-69-51-15-3-7-19-55(51)71(56-20-8-4-16-52(56)69)43-29-31-45-47(37-43)59(49-33-27-41-25-23-39-13-11-35-65-61(39)63(41)67-49)46-32-30-44(72-57-21-9-5-17-53(57)70(2)54-18-6-10-22-58(54)72)38-48(46)60(45)50-34-28-42-26-24-40-14-12-36-66-62(40)64(42)68-50/h3-38H,1-2H3
InChIKeyUGVIGCMNVLTMST-UHFFFAOYSA-N
XLogP16.62
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.10
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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-phenylanthracen-2-yl]phenazine
CID 59220247
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine
CID 59220088
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
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-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 59219640
2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline
CID 176639413
5-[9,10-di(phenanthren-9-yl)-6-(10H-phenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89111240
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
2-[10-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)anthracen-9-yl]-1,10-phenanthroline
CID 167412146
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline?
The IUPAC name of 2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline (CID 59220123) is 2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline is CN1c2ccccc2N(c2ccc3c(-c4ccc5ccc6cccnc6c5n4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5ccc6cccnc6c5n4)c3c2)c2ccccc21.
What is the InChIKey of 2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline?
The InChIKey is UGVIGCMNVLTMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N8/c1-69-51-15-3-7-19-55(51)71(56-20-8-4-16-52(56)69)43-29-31-45-47(37-43)59(49-33-27-41-25-23-39-13-11-35-65-61(39)63(41)67-49)46-32-30-44(72-57-21-9-5-17-53(57)70(2)54-18-6-10-22-58(54)72)38-48(46)60(45)50-34-28-42-26-24-40-14-12-36-66-62(40)64(42)68-50/h3-38H,1-2H3.
What are the key properties of 2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline?
2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline has a molecular weight of 923.10 g/mol, XLogP of 16.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline is sourced from PubChem (CID 59220123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).