2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine

C54H30N2O2S — CID 146600420

IUPAC2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cc(-c2ccc3sc4ncc(-c5cccc(-c6cccc7c6oc6c8ccccc8ccc76)c5)nc4c3c2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C54H30N2O2S/c1-3-15-38-31(9-1)21-24-44-42-19-7-17-40(52(42)57-50(38)44)35-12-5-11-33(27-35)34-23-26-48-46(29-34)49-54(59-48)55-30-47(56-49)37-14-6-13-36(28-37)41-18-8-20-43-45-25-22-32-10-2-4-16-39(32)51(45)58-53(41)43/h1-30H
InChIKeyMBJGFFHSADBWQC-UHFFFAOYSA-N
MW770.91 g/mol
LogP15.62
Rot. Bonds4

About 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine

2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 146600420) has the molecular formula C54H30N2O2S and a molecular weight of 770.91 g/mol. Its IUPAC name is 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
PubChem CID146600420
Molecular FormulaC54H30N2O2S
Molecular Weight770.91 g/mol
Exact Mass770.20
IUPAC Name2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cc(-c2ccc3sc4ncc(-c5cccc(-c6cccc7c6oc6c8ccccc8ccc76)c5)nc4c3c2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C54H30N2O2S/c1-3-15-38-31(9-1)21-24-44-42-19-7-17-40(52(42)57-50(38)44)35-12-5-11-33(27-35)34-23-26-48-46(29-34)49-54(59-48)55-30-47(56-49)37-14-6-13-36(28-37)41-18-8-20-43-45-25-22-32-10-2-4-16-39(32)51(45)58-53(41)43/h1-30H
InChIKeyMBJGFFHSADBWQC-UHFFFAOYSA-N
XLogP15.62
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.91
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,8-bis(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 146600329
2-(3-dibenzothiophen-4-ylphenyl)-8-(3-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2-(3-dibenzothiophen-4-ylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 157363541
4-[3-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142294020
2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
CID 134273527
3-[3-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-dinaphthalen-2-ylphenanthro[9,10-b]pyrazine
CID 129063494
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442
13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 155396498
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
3-[3-[3-[3-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 118488096
3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159603880
15-[3-(3-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137456760

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine (CID 146600420) is 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine is c1cc(-c2ccc3sc4ncc(-c5cccc(-c6cccc7c6oc6c8ccccc8ccc76)c5)nc4c3c2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1.
What is the InChIKey of 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is MBJGFFHSADBWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N2O2S/c1-3-15-38-31(9-1)21-24-44-42-19-7-17-40(52(42)57-50(38)44)35-12-5-11-33(27-35)34-23-26-48-46(29-34)49-54(59-48)55-30-47(56-49)37-14-6-13-36(28-37)41-18-8-20-43-45-25-22-32-10-2-4-16-39(32)51(45)58-53(41)43/h1-30H.
What are the key properties of 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 770.91 g/mol, XLogP of 15.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 146600420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).