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

C174H107N19OS — CID 158702901

IUPAC8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7oc8cccnc8c7c6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7sc8cccnc8c7c6)n5)ccc43)n2)cc1
InChIInChI=1S/C62H39N7.C56H34N6O.C56H34N6S/c1-4-16-40(17-5-1)52-39-53(41-18-6-2-7-19-41)66-62(65-52)69-55-26-13-11-23-47(55)49-37-43(30-33-57(49)69)42-29-32-56-48(36-42)46-22-10-12-25-54(46)68(56)60-28-14-24-51(64-60)44-31-34-58-50(38-44)61-59(27-15-35-63-61)67(58)45-20-8-3-9-21-45;2*1-3-13-35(14-4-1)46-34-47(36-15-5-2-6-16-36)60-56(59-46)62-49-21-10-8-18-41(49)43-32-38(25-28-51(43)62)37-24-27-50-42(31-37)40-17-7-9-20-48(40)61(50)54-23-11-19-45(58-54)39-26-29-52-44(33-39)55-53(63-52)22-12-30-57-55/h1-39H;2*1-34H
InChIKeyIHTPIGBUJWKGKD-UHFFFAOYSA-N
MW2511.97 g/mol
LogP43.75
Rot. Bonds19

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

8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole (PubChem CID 158702901) has the molecular formula C174H107N19OS and a molecular weight of 2511.97 g/mol. Its IUPAC name is 8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole
PubChem CID158702901
Molecular FormulaC174H107N19OS
Molecular Weight2511.97 g/mol
Exact Mass2509.86
IUPAC Name8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7oc8cccnc8c7c6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7sc8cccnc8c7c6)n5)ccc43)n2)cc1
InChIInChI=1S/C62H39N7.C56H34N6O.C56H34N6S/c1-4-16-40(17-5-1)52-39-53(41-18-6-2-7-19-41)66-62(65-52)69-55-26-13-11-23-47(55)49-37-43(30-33-57(49)69)42-29-32-56-48(36-42)46-22-10-12-25-54(46)68(56)60-28-14-24-51(64-60)44-31-34-58-50(38-44)61-59(27-15-35-63-61)67(58)45-20-8-3-9-21-45;2*1-3-13-35(14-4-1)46-34-47(36-15-5-2-6-16-36)60-56(59-46)62-49-21-10-8-18-41(49)43-32-38(25-28-51(43)62)37-24-27-50-42(31-37)40-17-7-9-20-48(40)61(50)54-23-11-19-45(58-54)39-26-29-52-44(33-39)55-53(63-52)22-12-30-57-55/h1-39H;2*1-34H
InChIKeyIHTPIGBUJWKGKD-UHFFFAOYSA-N
XLogP43.75
TPSA202.33 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.97
LogP ≤ 543.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole (CID 158702901) is 8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7oc8cccnc8c7c6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7sc8cccnc8c7c6)n5)ccc43)n2)cc1.
What is the InChIKey of 8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is IHTPIGBUJWKGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7.C56H34N6O.C56H34N6S/c1-4-16-40(17-5-1)52-39-53(41-18-6-2-7-19-41)66-62(65-52)69-55-26-13-11-23-47(55)49-37-43(30-33-57(49)69)42-29-32-56-48(36-42)46-22-10-12-25-54(46)68(56)60-28-14-24-51(64-60)44-31-34-58-50(38-44)61-59(27-15-35-63-61)67(58)45-20-8-3-9-21-45;2*1-3-13-35(14-4-1)46-34-47(36-15-5-2-6-16-36)60-56(59-46)62-49-21-10-8-18-41(49)43-32-38(25-28-51(43)62)37-24-27-50-42(31-37)40-17-7-9-20-48(40)61(50)54-23-11-19-45(58-54)39-26-29-52-44(33-39)55-53(63-52)22-12-30-57-55/h1-39H;2*1-34H.
What are the key properties of 8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole?
8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole has a molecular weight of 2511.97 g/mol, XLogP of 43.75, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 158702901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).