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

C174H107N19OS — CID 157113798

IUPAC8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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(-c5ccc6c7ccccc7n(-c7cncc(-c8ccc9c(c8)c8ncccc8n9-c8ccccc8)c7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cncc(-c8ccc9oc%10cccnc%10c9c8)c7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cncc(-c8ccc9sc%10cccnc%10c9c8)c7)c6c5)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)51-34-42(27-30-57(51)69)44-26-29-50-48-21-10-12-23-55(48)68(60(50)36-44)47-33-45(38-63-39-47)43-28-31-58-52(35-43)61-59(25-14-32-64-61)67(58)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)45-29-37(22-25-51(45)62)39-21-24-44-42-16-7-9-18-49(42)61(52(44)31-39)41-28-40(33-57-34-41)38-23-26-53-46(30-38)55-54(63-53)20-11-27-58-55/h1-39H;2*1-34H
InChIKeyAHDSCSLEIMLEHB-UHFFFAOYSA-N
MW2511.97 g/mol
LogP43.75
Rot. Bonds19

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

8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole (PubChem CID 157113798) has the molecular formula C174H107N19OS and a molecular weight of 2511.97 g/mol. Its IUPAC name is 8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole
PubChem CID157113798
Molecular FormulaC174H107N19OS
Molecular Weight2511.97 g/mol
Exact Mass2509.86
IUPAC Name8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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(-c5ccc6c7ccccc7n(-c7cncc(-c8ccc9c(c8)c8ncccc8n9-c8ccccc8)c7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cncc(-c8ccc9oc%10cccnc%10c9c8)c7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cncc(-c8ccc9sc%10cccnc%10c9c8)c7)c6c5)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)51-34-42(27-30-57(51)69)44-26-29-50-48-21-10-12-23-55(48)68(60(50)36-44)47-33-45(38-63-39-47)43-28-31-58-52(35-43)61-59(25-14-32-64-61)67(58)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)45-29-37(22-25-51(45)62)39-21-24-44-42-16-7-9-18-49(42)61(52(44)31-39)41-28-40(33-57-34-41)38-23-26-53-46(30-38)55-54(63-53)20-11-27-58-55/h1-39H;2*1-34H
InChIKeyAHDSCSLEIMLEHB-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-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole (CID 157113798) is 8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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(-c5ccc6c7ccccc7n(-c7cncc(-c8ccc9c(c8)c8ncccc8n9-c8ccccc8)c7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cncc(-c8ccc9oc%10cccnc%10c9c8)c7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cncc(-c8ccc9sc%10cccnc%10c9c8)c7)c6c5)ccc43)n2)cc1.
What is the InChIKey of 8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is AHDSCSLEIMLEHB-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)51-34-42(27-30-57(51)69)44-26-29-50-48-21-10-12-23-55(48)68(60(50)36-44)47-33-45(38-63-39-47)43-28-31-58-52(35-43)61-59(25-14-32-64-61)67(58)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)45-29-37(22-25-51(45)62)39-21-24-44-42-16-7-9-18-49(42)61(52(44)31-39)41-28-40(33-57-34-41)38-23-26-53-46(30-38)55-54(63-53)20-11-27-58-55/h1-39H;2*1-34H.
What are the key properties of 8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole?
8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[2-[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 157113798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).