2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline

C60H34N6OS — CID 141292518

IUPAC2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline
SMILESc1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4ncc5ccccc5n4)c(-c4cnc5ccccc5n4)c4ccc(-c5cc6ccccc6o5)c(-c5cc6ccccc6s5)c34)ccc2c1
InChIInChI=1S/C60H34N6OS/c1-6-18-40-35(13-1)29-30-61-59(40)57-56(47-28-25-36-14-2-7-19-43(36)64-47)55-42(27-26-41(50-31-37-15-4-11-23-49(37)67-50)54(55)52-32-38-16-5-12-24-51(38)68-52)53(48-34-62-45-21-9-10-22-46(45)65-48)58(57)60-63-33-39-17-3-8-20-44(39)66-60/h1-34H
InChIKeyVJVRJYATEXAFMP-UHFFFAOYSA-N
MW887.04 g/mol
LogP15.79
Rot. Bonds6

About 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline

2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline (PubChem CID 141292518) has the molecular formula C60H34N6OS and a molecular weight of 887.04 g/mol. Its IUPAC name is 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline
PubChem CID141292518
Molecular FormulaC60H34N6OS
Molecular Weight887.04 g/mol
Exact Mass886.25
IUPAC Name2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline
SMILESc1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4ncc5ccccc5n4)c(-c4cnc5ccccc5n4)c4ccc(-c5cc6ccccc6o5)c(-c5cc6ccccc6s5)c34)ccc2c1
InChIInChI=1S/C60H34N6OS/c1-6-18-40-35(13-1)29-30-61-59(40)57-56(47-28-25-36-14-2-7-19-43(36)64-47)55-42(27-26-41(50-31-37-15-4-11-23-49(37)67-50)54(55)52-32-38-16-5-12-24-51(38)68-52)53(48-34-62-45-21-9-10-22-46(45)65-48)58(57)60-63-33-39-17-3-8-20-44(39)66-60/h1-34H
InChIKeyVJVRJYATEXAFMP-UHFFFAOYSA-N
XLogP15.79
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.04
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline with MolForge

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Related Compounds

2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 139244342
2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline-3,7,8-triium
CID 139244343
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-3-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519456
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519473
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-1-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 149135658
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155096700
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-4-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096713
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096731
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341436
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline?
The IUPAC name of 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline (CID 141292518) is 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline.
What is the SMILES notation for 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline?
The canonical SMILES for 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline is c1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4ncc5ccccc5n4)c(-c4cnc5ccccc5n4)c4ccc(-c5cc6ccccc6o5)c(-c5cc6ccccc6s5)c34)ccc2c1.
What is the InChIKey of 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline?
The InChIKey is VJVRJYATEXAFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N6OS/c1-6-18-40-35(13-1)29-30-61-59(40)57-56(47-28-25-36-14-2-7-19-43(36)64-47)55-42(27-26-41(50-31-37-15-4-11-23-49(37)67-50)54(55)52-32-38-16-5-12-24-51(38)68-52)53(48-34-62-45-21-9-10-22-46(45)65-48)58(57)60-63-33-39-17-3-8-20-44(39)66-60/h1-34H.
What are the key properties of 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline?
2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline has a molecular weight of 887.04 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline is sourced from PubChem (CID 141292518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).