3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole

C44H29N3O — CID 159196698

IUPAC3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole
SMILESC1=CC2=NC(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c3)=CNC2C=C1
InChIInChI=1S/C44H29N3O/c1-5-17-41-34(13-1)37-25-30(28-9-7-11-32(23-28)40-27-45-38-15-3-4-16-39(38)46-40)20-22-42(37)47(41)33-12-8-10-29(24-33)31-19-21-36-35-14-2-6-18-43(35)48-44(36)26-31/h1-27,38,45H
InChIKeyKOTFNGYKOFKWRM-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.85
Rot. Bonds4

About 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole

3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole (PubChem CID 159196698) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole
PubChem CID159196698
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole
SMILESC1=CC2=NC(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c3)=CNC2C=C1
InChIInChI=1S/C44H29N3O/c1-5-17-41-34(13-1)37-25-30(28-9-7-11-32(23-28)40-27-45-38-15-3-4-16-39(38)46-40)20-22-42(37)47(41)33-12-8-10-29(24-33)31-19-21-36-35-14-2-6-18-43(35)48-44(36)26-31/h1-27,38,45H
InChIKeyKOTFNGYKOFKWRM-UHFFFAOYSA-N
XLogP10.85
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631973
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3-dibenzofuran-3-yl-9-(3-methylphenyl)carbazole
CID 170131130
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
9-[3-[4-dibenzofuran-3-yl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 149015024
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158922276
9-[3-[4-dibenzofuran-3-yl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159113305

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole?
The IUPAC name of 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole (CID 159196698) is 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole.
What is the SMILES notation for 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole?
The canonical SMILES for 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole is C1=CC2=NC(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c3)=CNC2C=C1.
What is the InChIKey of 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole?
The InChIKey is KOTFNGYKOFKWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-5-17-41-34(13-1)37-25-30(28-9-7-11-32(23-28)40-27-45-38-15-3-4-16-39(38)46-40)20-22-42(37)47(41)33-12-8-10-29(24-33)31-19-21-36-35-14-2-6-18-43(35)48-44(36)26-31/h1-27,38,45H.
What are the key properties of 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole?
3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole has a molecular weight of 615.74 g/mol, XLogP of 10.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole is sourced from PubChem (CID 159196698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).