6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine

C76H46N2O2 — CID 89417071

IUPAC6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3oc4c(-c5cccc(-c6ccc7c8ccc(-c9cccc(-c%10cc(-c%11ccccc%11)cc%11c%10oc%10ccc(-c%12ccccc%12)cc%10%11)c9)cc8c8nccnc8c7c6)c5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C76H46N2O2/c1-5-15-47(16-6-1)53-29-33-71-65(39-53)69-45-59(49-19-9-3-10-20-49)43-63(75(69)79-71)57-25-13-23-51(37-57)55-27-31-61-62-32-28-56(42-68(62)74-73(67(61)41-55)77-35-36-78-74)52-24-14-26-58(38-52)64-44-60(50-21-11-4-12-22-50)46-70-66-40-54(48-17-7-2-8-18-48)30-34-72(66)80-76(64)70/h1-46H
InChIKeyJMBCLRVUDALSPK-UHFFFAOYSA-N
MW1019.22 g/mol
LogP21.07
Rot. Bonds8

About 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine

6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 89417071) has the molecular formula C76H46N2O2 and a molecular weight of 1019.22 g/mol. Its IUPAC name is 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID89417071
Molecular FormulaC76H46N2O2
Molecular Weight1019.22 g/mol
Exact Mass1018.36
IUPAC Name6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3oc4c(-c5cccc(-c6ccc7c8ccc(-c9cccc(-c%10cc(-c%11ccccc%11)cc%11c%10oc%10ccc(-c%12ccccc%12)cc%10%11)c9)cc8c8nccnc8c7c6)c5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C76H46N2O2/c1-5-15-47(16-6-1)53-29-33-71-65(39-53)69-45-59(49-19-9-3-10-20-49)43-63(75(69)79-71)57-25-13-23-51(37-57)55-27-31-61-62-32-28-56(42-68(62)74-73(67(61)41-55)77-35-36-78-74)52-24-14-26-58(38-52)64-44-60(50-21-11-4-12-22-50)46-70-66-40-54(48-17-7-2-8-18-48)30-34-72(66)80-76(64)70/h1-46H
InChIKeyJMBCLRVUDALSPK-UHFFFAOYSA-N
XLogP21.07
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.22
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]pyridine
CID 153423338
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332183
6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063531
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 159699923
2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369665
3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425358
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592

Frequently Asked Questions

What is the IUPAC name of 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 89417071) is 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-c2ccc3oc4c(-c5cccc(-c6ccc7c8ccc(-c9cccc(-c%10cc(-c%11ccccc%11)cc%11c%10oc%10ccc(-c%12ccccc%12)cc%10%11)c9)cc8c8nccnc8c7c6)c5)cc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is JMBCLRVUDALSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N2O2/c1-5-15-47(16-6-1)53-29-33-71-65(39-53)69-45-59(49-19-9-3-10-20-49)43-63(75(69)79-71)57-25-13-23-51(37-57)55-27-31-61-62-32-28-56(42-68(62)74-73(67(61)41-55)77-35-36-78-74)52-24-14-26-58(38-52)64-44-60(50-21-11-4-12-22-50)46-70-66-40-54(48-17-7-2-8-18-48)30-34-72(66)80-76(64)70/h1-46H.
What are the key properties of 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1019.22 g/mol, XLogP of 21.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 89417071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).