5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine

C64H46N4S2 — CID 89111387

IUPAC5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1c2ccccc2N(c2ccc3c(-c4cccc5sc6ccccc6c45)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4cccc5sc6c(c45)CCCC6)c3c2)c2ccccc21
InChIInChI=1S/C64H46N4S2/c1-65-49-21-5-9-25-53(49)67(54-26-10-6-22-50(54)65)39-33-35-41-47(37-39)61(45-19-15-31-59-63(45)43-17-3-13-29-57(43)69-59)42-36-34-40(68-55-27-11-7-23-51(55)66(2)52-24-8-12-28-56(52)68)38-48(42)62(41)46-20-16-32-60-64(46)44-18-4-14-30-58(44)70-60/h3,5-13,15-17,19-29,31-38H,4,14,18,30H2,1-2H3
InChIKeyOFWZTHBGLTYWJY-UHFFFAOYSA-N
MW935.23 g/mol
LogP18.89
Rot. Bonds4

About 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine

5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine (PubChem CID 89111387) has the molecular formula C64H46N4S2 and a molecular weight of 935.23 g/mol. Its IUPAC name is 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine.

Molecular Properties

Compound Name5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine
PubChem CID89111387
Molecular FormulaC64H46N4S2
Molecular Weight935.23 g/mol
Exact Mass934.32
IUPAC Name5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1c2ccccc2N(c2ccc3c(-c4cccc5sc6ccccc6c45)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4cccc5sc6c(c45)CCCC6)c3c2)c2ccccc21
InChIInChI=1S/C64H46N4S2/c1-65-49-21-5-9-25-53(49)67(54-26-10-6-22-50(54)65)39-33-35-41-47(37-39)61(45-19-15-31-59-63(45)43-17-3-13-29-57(43)69-59)42-36-34-40(68-55-27-11-7-23-51(55)66(2)52-24-8-12-28-56(52)68)38-48(42)62(41)46-20-16-32-60-64(46)44-18-4-14-30-58(44)70-60/h3,5-13,15-17,19-29,31-38H,4,14,18,30H2,1-2H3
InChIKeyOFWZTHBGLTYWJY-UHFFFAOYSA-N
XLogP18.89
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.23
LogP ≤ 518.89
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

5-[9,10-di(dibenzothiophen-1-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 59219918
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925
1-(2-methyl-10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene
CID 59195819
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
1-[3-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236586
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,10-diphenylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220362
5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 59219640
10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine
CID 59220915
10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
CID 59219788
8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 145313366
1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
CID 170236506

Frequently Asked Questions

What is the IUPAC name of 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine?
The IUPAC name of 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine (CID 89111387) is 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine.
What is the SMILES notation for 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine?
The canonical SMILES for 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine is CN1c2ccccc2N(c2ccc3c(-c4cccc5sc6ccccc6c45)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4cccc5sc6c(c45)CCCC6)c3c2)c2ccccc21.
What is the InChIKey of 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine?
The InChIKey is OFWZTHBGLTYWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4S2/c1-65-49-21-5-9-25-53(49)67(54-26-10-6-22-50(54)65)39-33-35-41-47(37-39)61(45-19-15-31-59-63(45)43-17-3-13-29-57(43)69-59)42-36-34-40(68-55-27-11-7-23-51(55)66(2)52-24-8-12-28-56(52)68)38-48(42)62(41)46-20-16-32-60-64(46)44-18-4-14-30-58(44)70-60/h3,5-13,15-17,19-29,31-38H,4,14,18,30H2,1-2H3.
What are the key properties of 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine?
5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine has a molecular weight of 935.23 g/mol, XLogP of 18.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-dibenzothiophen-1-yl-6-(10-methylphenazin-5-yl)-10-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)anthracen-2-yl]-10-methylphenazine is sourced from PubChem (CID 89111387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).