10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

C40H24N2O — CID 88858645

IUPAC10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc2)c1
InChIInChI=1S/C40H24N2O/c1-2-8-30(28-18-20-38-36(24-28)32-10-5-6-12-37(32)43-38)29(7-1)26-15-13-25(14-16-26)27-17-19-34-35(23-27)31-9-3-4-11-33(31)39-40(34)42-22-21-41-39/h1-24H
InChIKeyBKGURRHAWCQEAL-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 88858645) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID88858645
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc2)c1
InChIInChI=1S/C40H24N2O/c1-2-8-30(28-18-20-38-36(24-28)32-10-5-6-12-37(32)43-38)29(7-1)26-15-13-25(14-16-26)27-17-19-34-35(23-27)31-9-3-4-11-33(31)39-40(34)42-22-21-41-39/h1-24H
InChIKeyBKGURRHAWCQEAL-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-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623
4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050316
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline
CID 118242597
3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 158679722
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063531
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
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

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (CID 88858645) is 10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc2)c1.
What is the InChIKey of 10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is BKGURRHAWCQEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-8-30(28-18-20-38-36(24-28)32-10-5-6-12-37(32)43-38)29(7-1)26-15-13-25(14-16-26)27-17-19-34-35(23-27)31-9-3-4-11-33(31)39-40(34)42-22-21-41-39/h1-24H.
What are the key properties of 10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
10-[4-(2-dibenzofuran-2-ylphenyl)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-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).