2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine

C71H39N7OS — CID 137433830

IUPAC2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2c(nc1-c1ccc3ccc(-c4cccc5oc6nc(-c7ccc8cccnc8c7)c(-n7c8ccccc8c8cc9ccccc9cc87)nc6c45)cc3c1)sc1ccccc12
InChIInChI=1S/C71H39N7OS/c1-3-15-44-38-59-54(35-42(44)13-1)51-18-5-8-22-57(51)77(59)68-64(48-31-28-41-17-12-32-72-56(41)37-48)75-70-67(74-68)63-50(21-11-24-61(63)79-70)46-29-26-40-27-30-47(34-49(40)33-46)65-69(73-66-53-20-7-10-25-62(53)80-71(66)76-65)78-58-23-9-6-19-52(58)55-36-43-14-2-4-16-45(43)39-60(55)78/h1-39H
InChIKeyLBJMJZWUJGMZAY-UHFFFAOYSA-N
MW1038.21 g/mol
LogP18.74
Rot. Bonds5

About 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine

2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 137433830) has the molecular formula C71H39N7OS and a molecular weight of 1038.21 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine
PubChem CID137433830
Molecular FormulaC71H39N7OS
Molecular Weight1038.21 g/mol
Exact Mass1037.29
IUPAC Name2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2c(nc1-c1ccc3ccc(-c4cccc5oc6nc(-c7ccc8cccnc8c7)c(-n7c8ccccc8c8cc9ccccc9cc87)nc6c45)cc3c1)sc1ccccc12
InChIInChI=1S/C71H39N7OS/c1-3-15-44-38-59-54(35-42(44)13-1)51-18-5-8-22-57(51)77(59)68-64(48-31-28-41-17-12-32-72-56(41)37-48)75-70-67(74-68)63-50(21-11-24-61(63)79-70)46-29-26-40-27-30-47(34-49(40)33-46)65-69(73-66-53-20-7-10-25-62(53)80-71(66)76-65)78-58-23-9-6-19-52(58)55-36-43-14-2-4-16-45(43)39-60(55)78/h1-39H
InChIKeyLBJMJZWUJGMZAY-UHFFFAOYSA-N
XLogP18.74
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.21
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[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

Frequently Asked Questions

What is the IUPAC name of 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine (CID 137433830) is 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2c(nc1-c1ccc3ccc(-c4cccc5oc6nc(-c7ccc8cccnc8c7)c(-n7c8ccccc8c8cc9ccccc9cc87)nc6c45)cc3c1)sc1ccccc12.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is LBJMJZWUJGMZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H39N7OS/c1-3-15-44-38-59-54(35-42(44)13-1)51-18-5-8-22-57(51)77(59)68-64(48-31-28-41-17-12-32-72-56(41)37-48)75-70-67(74-68)63-50(21-11-24-61(63)79-70)46-29-26-40-27-30-47(34-49(40)33-46)65-69(73-66-53-20-7-10-25-62(53)80-71(66)76-65)78-58-23-9-6-19-52(58)55-36-43-14-2-4-16-45(43)39-60(55)78/h1-39H.
What are the key properties of 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine?
2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 1038.21 g/mol, XLogP of 18.74, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-9-[7-(2-benzo[b]carbazol-5-yl-[1]benzothiolo[2,3-b]pyrazin-3-yl)naphthalen-2-yl]-3-quinolin-7-yl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 137433830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).