8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole

C180H113N13OS — CID 159289835

IUPAC8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c5)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7c6)c5)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7c6)c5)cc43)c2)cc1
InChIInChI=1S/C64H41N5.C58H36N4O.C58H36N4S/c1-4-16-42(17-5-1)48-38-56(43-18-6-2-7-19-43)66-63(40-48)69-58-27-13-10-24-51(58)53-32-29-47(39-62(53)69)45-21-14-20-44(36-45)46-30-33-59-54(37-46)52-25-11-12-26-57(52)68(59)50-31-34-60-55(41-50)64-61(28-15-35-65-64)67(60)49-22-8-3-9-23-49;2*1-3-13-37(14-4-1)43-33-50(38-15-5-2-6-16-38)60-57(35-43)62-52-22-10-7-19-45(52)47-27-24-42(34-54(47)62)40-18-11-17-39(31-40)41-25-28-53-48(32-41)46-20-8-9-21-51(46)61(53)44-26-29-55-49(36-44)58-56(63-55)23-12-30-59-58/h1-41H;2*1-36H
InChIKeyKZYYBPRABHPQSH-UHFFFAOYSA-N
MW2506.04 g/mol
LogP47.38
Rot. Bonds19

About 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole

8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 159289835) has the molecular formula C180H113N13OS and a molecular weight of 2506.04 g/mol. Its IUPAC name is 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
PubChem CID159289835
Molecular FormulaC180H113N13OS
Molecular Weight2506.04 g/mol
Exact Mass2503.89
IUPAC Name8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c5)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7c6)c5)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7c6)c5)cc43)c2)cc1
InChIInChI=1S/C64H41N5.C58H36N4O.C58H36N4S/c1-4-16-42(17-5-1)48-38-56(43-18-6-2-7-19-43)66-63(40-48)69-58-27-13-10-24-51(58)53-32-29-47(39-62(53)69)45-21-14-20-44(36-45)46-30-33-59-54(37-46)52-25-11-12-26-57(52)68(59)50-31-34-60-55(41-50)64-61(28-15-35-65-64)67(60)49-22-8-3-9-23-49;2*1-3-13-37(14-4-1)43-33-50(38-15-5-2-6-16-38)60-57(35-43)62-52-22-10-7-19-45(52)47-27-24-42(34-54(47)62)40-18-11-17-39(31-40)41-25-28-53-48(32-41)46-20-8-9-21-51(46)61(53)44-26-29-55-49(36-44)58-56(63-55)23-12-30-59-58/h1-41H;2*1-36H
InChIKeyKZYYBPRABHPQSH-UHFFFAOYSA-N
XLogP47.38
TPSA124.99 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002506.04
LogP ≤ 547.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole (CID 159289835) is 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c5)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7c6)c5)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7c6)c5)cc43)c2)cc1.
What is the InChIKey of 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is KZYYBPRABHPQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5.C58H36N4O.C58H36N4S/c1-4-16-42(17-5-1)48-38-56(43-18-6-2-7-19-43)66-63(40-48)69-58-27-13-10-24-51(58)53-32-29-47(39-62(53)69)45-21-14-20-44(36-45)46-30-33-59-54(37-46)52-25-11-12-26-57(52)68(59)50-31-34-60-55(41-50)64-61(28-15-35-65-64)67(60)49-22-8-3-9-23-49;2*1-3-13-37(14-4-1)43-33-50(38-15-5-2-6-16-38)60-57(35-43)62-52-22-10-7-19-45(52)47-27-24-42(34-54(47)62)40-18-11-17-39(31-40)41-25-28-53-48(32-41)46-20-8-9-21-51(46)61(53)44-26-29-55-49(36-44)58-56(63-55)23-12-30-59-58/h1-41H;2*1-36H.
What are the key properties of 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole has a molecular weight of 2506.04 g/mol, XLogP of 47.38, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 159289835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).