10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine

C40H24N2O — CID 88858651

IUPAC10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3oc4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5c5nccnc65)cc4c3c2)cc1
InChIInChI=1S/C40H24N2O/c1-2-8-25(9-3-1)26-15-18-37-35(22-26)36-24-28(16-19-38(36)43-37)30-11-5-4-10-29(30)27-14-17-33-34(23-27)31-12-6-7-13-32(31)39-40(33)42-21-20-41-39/h1-24H
InChIKeyXYNQFUDQQQLLGH-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine

10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 88858651) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID88858651
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3oc4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5c5nccnc65)cc4c3c2)cc1
InChIInChI=1S/C40H24N2O/c1-2-8-25(9-3-1)26-15-18-37-35(22-26)36-24-28(16-19-38(36)43-37)30-11-5-4-10-29(30)27-14-17-33-34(23-27)31-12-6-7-13-32(31)39-40(33)42-21-20-41-39/h1-24H
InChIKeyXYNQFUDQQQLLGH-UHFFFAOYSA-N
XLogP10.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858645
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071
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-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050316
7,10-diphenylphenanthro[9,10-b]pyrazine;ethane
CID 143925438
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 146407681
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038

Frequently Asked Questions

What is the IUPAC name of 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 88858651) is 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-c2ccc3oc4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5c5nccnc65)cc4c3c2)cc1.
What is the InChIKey of 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is XYNQFUDQQQLLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-8-25(9-3-1)26-15-18-37-35(22-26)36-24-28(16-19-38(36)43-37)30-11-5-4-10-29(30)27-14-17-33-34(23-27)31-12-6-7-13-32(31)39-40(33)42-21-20-41-39/h1-24H.
What are the key properties of 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 548.65 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).