10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine

C38H22N2O — CID 88858623

IUPAC10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)c4ccccc34)cc12
InChIInChI=1S/C38H22N2O/c1-2-8-28-26(24-14-18-36-34(22-24)30-10-5-6-12-35(30)41-36)17-16-25(27(28)7-1)23-13-15-32-33(21-23)29-9-3-4-11-31(29)37-38(32)40-20-19-39-37/h1-22H
InChIKeyMUCZLMHYTBAKJZ-UHFFFAOYSA-N
MW522.61 g/mol
LogP10.32
Rot. Bonds2

About 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine

10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine (PubChem CID 88858623) has the molecular formula C38H22N2O and a molecular weight of 522.61 g/mol. Its IUPAC name is 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
PubChem CID88858623
Molecular FormulaC38H22N2O
Molecular Weight522.61 g/mol
Exact Mass522.17
IUPAC Name10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)c4ccccc34)cc12
InChIInChI=1S/C38H22N2O/c1-2-8-28-26(24-14-18-36-34(22-24)30-10-5-6-12-35(30)41-36)17-16-25(27(28)7-1)23-13-15-32-33(21-23)29-9-3-4-11-31(29)37-38(32)40-20-19-39-37/h1-22H
InChIKeyMUCZLMHYTBAKJZ-UHFFFAOYSA-N
XLogP10.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 510.32
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-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
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
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
CID 129063512
6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063531
3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063529
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
CID 134428938

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine (CID 88858623) is 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)c4ccccc34)cc12.
What is the InChIKey of 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is MUCZLMHYTBAKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O/c1-2-8-28-26(24-14-18-36-34(22-24)30-10-5-6-12-35(30)41-36)17-16-25(27(28)7-1)23-13-15-32-33(21-23)29-9-3-4-11-31(29)37-38(32)40-20-19-39-37/h1-22H.
What are the key properties of 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine?
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 522.61 g/mol, XLogP of 10.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).