6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

C206H117N17O2S — CID 157356038

IUPAC6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3oc4ccc(-c5cccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c5)cc4c3c2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.c1cc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c5)cc4c3c2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.c1ccc(-n2c3ccc(-c4ccc5c6ccccc6c6nccnc6c5c4)cc3c3cc(-c4ccc5c6ccccc6c6nccnc6c5c4)ccc32)cc1.c1ccc2c(c1)c1ccc(-c3ccc4oc5ccc(-c6ccc7c8ccccc8c8nccnc8c7c6)cc5c4c3)cc1c1nccnc21
InChIInChI=1S/C56H32N4O.C56H32N4S.C50H29N5.C44H24N4O/c2*1-3-13-45-41(11-1)43-19-15-37(31-49(43)55-53(45)57-23-25-59-55)33-7-5-9-35(27-33)39-17-21-51-47(29-39)48-30-40(18-22-52(48)61-51)36-10-6-8-34(28-36)38-16-20-44-42-12-2-4-14-46(42)54-56(50(44)32-38)60-26-24-58-54;1-2-8-34(9-3-1)55-45-20-16-32(30-14-18-37-35-10-4-6-12-39(35)47-49(43(37)28-30)53-24-22-51-47)26-41(45)42-27-33(17-21-46(42)55)31-15-19-38-36-11-5-7-13-40(36)48-50(44(38)29-31)54-25-23-52-48;1-3-7-33-29(5-1)31-13-9-25(23-37(31)43-41(33)45-17-19-47-43)27-11-15-39-35(21-27)36-22-28(12-16-40(36)49-39)26-10-14-32-30-6-2-4-8-34(30)42-44(38(32)24-26)48-20-18-46-42/h2*1-32H;1-29H;1-24H
InChIKeyBICAHGUXXCIJCU-UHFFFAOYSA-N
MW2894.39 g/mol
LogP54.01
Rot. Bonds13

About 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 157356038) has the molecular formula C206H117N17O2S and a molecular weight of 2894.39 g/mol. Its IUPAC name is 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID157356038
Molecular FormulaC206H117N17O2S
Molecular Weight2894.39 g/mol
Exact Mass2891.93
IUPAC Name6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3oc4ccc(-c5cccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c5)cc4c3c2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.c1cc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c5)cc4c3c2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.c1ccc(-n2c3ccc(-c4ccc5c6ccccc6c6nccnc6c5c4)cc3c3cc(-c4ccc5c6ccccc6c6nccnc6c5c4)ccc32)cc1.c1ccc2c(c1)c1ccc(-c3ccc4oc5ccc(-c6ccc7c8ccccc8c8nccnc8c7c6)cc5c4c3)cc1c1nccnc21
InChIInChI=1S/C56H32N4O.C56H32N4S.C50H29N5.C44H24N4O/c2*1-3-13-45-41(11-1)43-19-15-37(31-49(43)55-53(45)57-23-25-59-55)33-7-5-9-35(27-33)39-17-21-51-47(29-39)48-30-40(18-22-52(48)61-51)36-10-6-8-34(28-36)38-16-20-44-42-12-2-4-14-46(42)54-56(50(44)32-38)60-26-24-58-54;1-2-8-34(9-3-1)55-45-20-16-32(30-14-18-37-35-10-4-6-12-39(35)47-49(43(37)28-30)53-24-22-51-47)26-41(45)42-27-33(17-21-46(42)55)31-15-19-38-36-11-5-7-13-40(36)48-50(44(38)29-31)54-25-23-52-48;1-3-7-33-29(5-1)31-13-9-25(23-37(31)43-41(33)45-17-19-47-43)27-11-15-39-35(21-27)36-22-28(12-16-40(36)49-39)26-10-14-32-30-6-2-4-8-34(30)42-44(38(32)24-26)48-20-18-46-42/h2*1-32H;1-29H;1-24H
InChIKeyBICAHGUXXCIJCU-UHFFFAOYSA-N
XLogP54.01
TPSA237.45 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002894.39
LogP ≤ 554.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 157356038) is 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2ccc3oc4ccc(-c5cccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c5)cc4c3c2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.c1cc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c5)cc4c3c2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.c1ccc(-n2c3ccc(-c4ccc5c6ccccc6c6nccnc6c5c4)cc3c3cc(-c4ccc5c6ccccc6c6nccnc6c5c4)ccc32)cc1.c1ccc2c(c1)c1ccc(-c3ccc4oc5ccc(-c6ccc7c8ccccc8c8nccnc8c7c6)cc5c4c3)cc1c1nccnc21.
What is the InChIKey of 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is BICAHGUXXCIJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N4O.C56H32N4S.C50H29N5.C44H24N4O/c2*1-3-13-45-41(11-1)43-19-15-37(31-49(43)55-53(45)57-23-25-59-55)33-7-5-9-35(27-33)39-17-21-51-47(29-39)48-30-40(18-22-52(48)61-51)36-10-6-8-34(28-36)38-16-20-44-42-12-2-4-14-46(42)54-56(50(44)32-38)60-26-24-58-54;1-2-8-34(9-3-1)55-45-20-16-32(30-14-18-37-35-10-4-6-12-39(35)47-49(43(37)28-30)53-24-22-51-47)26-41(45)42-27-33(17-21-46(42)55)31-15-19-38-36-11-5-7-13-40(36)48-50(44(38)29-31)54-25-23-52-48;1-3-7-33-29(5-1)31-13-9-25(23-37(31)43-41(33)45-17-19-47-43)27-11-15-39-35(21-27)36-22-28(12-16-40(36)49-39)26-10-14-32-30-6-2-4-8-34(30)42-44(38(32)24-26)48-20-18-46-42/h2*1-32H;1-29H;1-24H.
What are the key properties of 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?
6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 2894.39 g/mol, XLogP of 54.01, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-phenanthro[9,10-b]pyrazin-6-yldibenzofuran-2-yl)phenanthro[9,10-b]pyrazine;6-(6-phenanthro[9,10-b]pyrazin-6-yl-9-phenylcarbazol-3-yl)phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzofuran-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[8-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)dibenzothiophen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157356038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).