2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline

C44H30N2O2 — CID 159082193

IUPAC2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline
SMILESC1=Cc2oc3c(c2CC1)C(c1ccc(-c2nc4ccccc4nc2-c2ccc(-c4cccc5c4oc4ccccc45)cc2)cc1)=CCC3
InChIInChI=1S/C44H30N2O2/c1-5-16-38-33(9-1)34-13-7-12-32(44(34)48-38)28-21-25-30(26-22-28)43-42(45-36-14-3-4-15-37(36)46-43)29-23-19-27(20-24-29)31-11-8-18-40-41(31)35-10-2-6-17-39(35)47-40/h1,3-7,9,11-17,19-26H,2,8,10,18H2
InChIKeyKAZOXJQUBMPKAJ-UHFFFAOYSA-N
MW618.74 g/mol
LogP11.46
Rot. Bonds4

About 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline

2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline (PubChem CID 159082193) has the molecular formula C44H30N2O2 and a molecular weight of 618.74 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline
PubChem CID159082193
Molecular FormulaC44H30N2O2
Molecular Weight618.74 g/mol
Exact Mass618.23
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline
SMILESC1=Cc2oc3c(c2CC1)C(c1ccc(-c2nc4ccccc4nc2-c2ccc(-c4cccc5c4oc4ccccc45)cc2)cc1)=CCC3
InChIInChI=1S/C44H30N2O2/c1-5-16-38-33(9-1)34-13-7-12-32(44(34)48-38)28-21-25-30(26-22-28)43-42(45-36-14-3-4-15-37(36)46-43)29-23-19-27(20-24-29)31-11-8-18-40-41(31)35-10-2-6-17-39(35)47-40/h1,3-7,9,11-17,19-26H,2,8,10,18H2
InChIKeyKAZOXJQUBMPKAJ-UHFFFAOYSA-N
XLogP11.46
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline with MolForge

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Related Compounds

4-[4-[8-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]pyren-1-yl]phenyl]dibenzofuran
CID 88912607
2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
CID 170051931
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
4-(4-bromophenyl)dibenzofuran
CID 59022098
2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole
CID 163995473
2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
CID 163504946
5-(10-phenyl-1,2-dihydroanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 174288134
7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144583429
dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole
CID 145339989
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170221616
4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole
CID 154970662

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline (CID 159082193) is 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline is C1=Cc2oc3c(c2CC1)C(c1ccc(-c2nc4ccccc4nc2-c2ccc(-c4cccc5c4oc4ccccc45)cc2)cc1)=CCC3.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline?
The InChIKey is KAZOXJQUBMPKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2O2/c1-5-16-38-33(9-1)34-13-7-12-32(44(34)48-38)28-21-25-30(26-22-28)43-42(45-36-14-3-4-15-37(36)46-43)29-23-19-27(20-24-29)31-11-8-18-40-41(31)35-10-2-6-17-39(35)47-40/h1,3-7,9,11-17,19-26H,2,8,10,18H2.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline?
2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline has a molecular weight of 618.74 g/mol, XLogP of 11.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-3-[4-(3,4,8,9-tetrahydrodibenzofuran-1-yl)phenyl]quinoxaline is sourced from PubChem (CID 159082193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).