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

C174H107N19OS — CID 158687640

IUPAC8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7oc8cccnc8c7c6)c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7sc8cccnc8c7c6)c5)ccc43)n2)cc1
InChIInChI=1S/C62H39N7.C56H34N6O.C56H34N6S/c1-4-15-40(16-5-1)53-37-54(41-17-6-2-7-18-41)66-62(65-53)69-56-24-13-11-22-49(56)51-35-43(27-30-58(51)69)42-26-29-57-50(34-42)48-21-10-12-23-55(48)68(57)47-33-45(38-63-39-47)44-28-31-59-52(36-44)61-60(25-14-32-64-61)67(59)46-19-8-3-9-20-46;2*1-3-12-35(13-4-1)47-32-48(36-14-5-2-6-15-36)60-56(59-47)62-50-19-10-8-17-43(50)45-30-38(22-25-52(45)62)37-21-24-51-44(29-37)42-16-7-9-18-49(42)61(51)41-28-40(33-57-34-41)39-23-26-53-46(31-39)55-54(63-53)20-11-27-58-55/h1-39H;2*1-34H
InChIKeyIFYCQQQRBXEFGA-UHFFFAOYSA-N
MW2511.97 g/mol
LogP43.75
Rot. Bonds19

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

8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole (PubChem CID 158687640) has the molecular formula C174H107N19OS and a molecular weight of 2511.97 g/mol. Its IUPAC name is 8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole
PubChem CID158687640
Molecular FormulaC174H107N19OS
Molecular Weight2511.97 g/mol
Exact Mass2509.86
IUPAC Name8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7oc8cccnc8c7c6)c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7sc8cccnc8c7c6)c5)ccc43)n2)cc1
InChIInChI=1S/C62H39N7.C56H34N6O.C56H34N6S/c1-4-15-40(16-5-1)53-37-54(41-17-6-2-7-18-41)66-62(65-53)69-56-24-13-11-22-49(56)51-35-43(27-30-58(51)69)42-26-29-57-50(34-42)48-21-10-12-23-55(48)68(57)47-33-45(38-63-39-47)44-28-31-59-52(36-44)61-60(25-14-32-64-61)67(59)46-19-8-3-9-20-46;2*1-3-12-35(13-4-1)47-32-48(36-14-5-2-6-15-36)60-56(59-47)62-50-19-10-8-17-43(50)45-30-38(22-25-52(45)62)37-21-24-51-44(29-37)42-16-7-9-18-49(42)61(51)41-28-40(33-57-34-41)39-23-26-53-46(31-39)55-54(63-53)20-11-27-58-55/h1-39H;2*1-34H
InChIKeyIFYCQQQRBXEFGA-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-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole (CID 158687640) is 8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7oc8cccnc8c7c6)c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7sc8cccnc8c7c6)c5)ccc43)n2)cc1.
What is the InChIKey of 8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is IFYCQQQRBXEFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7.C56H34N6O.C56H34N6S/c1-4-15-40(16-5-1)53-37-54(41-17-6-2-7-18-41)66-62(65-53)69-56-24-13-11-22-49(56)51-35-43(27-30-58(51)69)42-26-29-57-50(34-42)48-21-10-12-23-55(48)68(57)47-33-45(38-63-39-47)44-28-31-59-52(36-44)61-60(25-14-32-64-61)67(59)46-19-8-3-9-20-46;2*1-3-12-35(13-4-1)47-32-48(36-14-5-2-6-15-36)60-56(59-47)62-50-19-10-8-17-43(50)45-30-38(22-25-52(45)62)37-21-24-51-44(29-37)42-16-7-9-18-49(42)61(51)41-28-40(33-57-34-41)39-23-26-53-46(31-39)55-54(63-53)20-11-27-58-55/h1-39H;2*1-34H.
What are the key properties of 8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole?
8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-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-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 158687640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).