10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine

C46H28N2O — CID 88858439

IUPAC10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6ccc7c(c6)c6ccccc6c6nccnc76)c5)cccc34)cc2)cc1
InChIInChI=1S/C46H28N2O/c1-2-9-29(10-3-1)30-19-21-31(22-20-30)35-15-7-17-40-41-18-8-16-36(46(41)49-45(35)40)34-12-6-11-32(27-34)33-23-24-39-42(28-33)37-13-4-5-14-38(37)43-44(39)48-26-25-47-43/h1-28H
InChIKeyXDBICDXELVOGAD-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

About 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine

10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 88858439) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID88858439
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6ccc7c(c6)c6ccccc6c6nccnc76)c5)cccc34)cc2)cc1
InChIInChI=1S/C46H28N2O/c1-2-9-29(10-3-1)30-19-21-31(22-20-30)35-15-7-17-40-41-18-8-16-36(46(41)49-45(35)40)34-12-6-11-32(27-34)33-23-24-39-42(28-33)37-13-4-5-14-38(37)43-44(39)48-26-25-47-43/h1-28H
InChIKeyXDBICDXELVOGAD-UHFFFAOYSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.50
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-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063531
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
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
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745164
19-(3-triphenylen-2-ylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 118439443
N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296513
10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858645
2,6-diphenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397354
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071

Frequently Asked Questions

What is the IUPAC name of 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 88858439) is 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6ccc7c(c6)c6ccccc6c6nccnc76)c5)cccc34)cc2)cc1.
What is the InChIKey of 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is XDBICDXELVOGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-9-29(10-3-1)30-19-21-31(22-20-30)35-15-7-17-40-41-18-8-16-36(46(41)49-45(35)40)34-12-6-11-32(27-34)33-23-24-39-42(28-33)37-13-4-5-14-38(37)43-44(39)48-26-25-47-43/h1-28H.
What are the key properties of 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 624.74 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).