6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline

C55H33N7OS — CID 141037706

IUPAC6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline
SMILESc1ccc2[nH]c(-c3c(-c4cnccn4)c(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5o4)c4nc(Sc5cccc6ccccc56)c(-c5cccc6ccccc56)nc34)cc2c1
InChIInChI=1S/C55H33N7OS/c1-5-19-36-32(13-1)17-11-21-38(36)51-55(64-46-26-12-18-33-14-2-6-20-37(33)46)62-53-49(45-30-35-16-4-10-25-44(35)63-45)50(54-59-40-23-8-9-24-41(40)60-54)47(43-31-56-27-28-57-43)48(52(53)61-51)42-29-34-15-3-7-22-39(34)58-42/h1-31,58H,(H,59,60)
InChIKeyTWAACVUVUMDKIR-UHFFFAOYSA-N
MW839.98 g/mol
LogP14.32
Rot. Bonds7

About 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline

6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline (PubChem CID 141037706) has the molecular formula C55H33N7OS and a molecular weight of 839.98 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline
PubChem CID141037706
Molecular FormulaC55H33N7OS
Molecular Weight839.98 g/mol
Exact Mass839.25
IUPAC Name6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline
SMILESc1ccc2[nH]c(-c3c(-c4cnccn4)c(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5o4)c4nc(Sc5cccc6ccccc56)c(-c5cccc6ccccc56)nc34)cc2c1
InChIInChI=1S/C55H33N7OS/c1-5-19-36-32(13-1)17-11-21-38(36)51-55(64-46-26-12-18-33-14-2-6-20-37(33)46)62-53-49(45-30-35-16-4-10-25-44(35)63-45)50(54-59-40-23-8-9-24-41(40)60-54)47(43-31-56-27-28-57-43)48(52(53)61-51)42-29-34-15-3-7-22-39(34)58-42/h1-31,58H,(H,59,60)
InChIKeyTWAACVUVUMDKIR-UHFFFAOYSA-N
XLogP14.32
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.98
LogP ≤ 514.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline with MolForge

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Related Compounds

3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
CID 140953159
9-[3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 140953668
8-[1-(2,4-Dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine
CID 176643933
15-[4-(1-Phenylbenzimidazol-2-yl)phenyl]-4-pyridin-2-yl-6-oxa-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2,4,7,9,11,13,17,19,21,23,25,27-tridecaene
CID 89702277
24-[4-(1-Phenylbenzimidazol-2-yl)phenyl]-11-pyridin-2-yl-9-oxa-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene
CID 89702767
1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole
CID 91138482
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1H-imidazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 117983917
15-(4-Phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
CID 118506508
9-(4,6-Diphenylpyrimidin-2-yl)-18-oxa-21-thia-6,9-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 118634430
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
5-[4-[4-(2,3-Dihydro-1,3-benzothiazol-2-yl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 124129798
6-[3-(2-Phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 126500725

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline (CID 141037706) is 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline is c1ccc2[nH]c(-c3c(-c4cnccn4)c(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5o4)c4nc(Sc5cccc6ccccc56)c(-c5cccc6ccccc56)nc34)cc2c1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline?
The InChIKey is TWAACVUVUMDKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N7OS/c1-5-19-36-32(13-1)17-11-21-38(36)51-55(64-46-26-12-18-33-14-2-6-20-37(33)46)62-53-49(45-30-35-16-4-10-25-44(35)63-45)50(54-59-40-23-8-9-24-41(40)60-54)47(43-31-56-27-28-57-43)48(52(53)61-51)42-29-34-15-3-7-22-39(34)58-42/h1-31,58H,(H,59,60).
What are the key properties of 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline?
6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline has a molecular weight of 839.98 g/mol, XLogP of 14.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline is sourced from PubChem (CID 141037706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).