2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline

C38H30N2O — CID 163862522

IUPAC2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)cc2C1(C)C
InChIInChI=1S/C38H30N2O/c1-37(2)29-13-7-5-11-25(29)26-19-17-23(21-30(26)38(37,3)4)35-36(40-32-15-9-8-14-31(32)39-35)24-18-20-28-27-12-6-10-16-33(27)41-34(28)22-24/h5-22H,1-4H3
InChIKeyPDUMPXDIHAKXEP-UHFFFAOYSA-N
MW530.67 g/mol
LogP10.10
Rot. Bonds2

About 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline

2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline (PubChem CID 163862522) has the molecular formula C38H30N2O and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline
PubChem CID163862522
Molecular FormulaC38H30N2O
Molecular Weight530.67 g/mol
Exact Mass530.24
IUPAC Name2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)cc2C1(C)C
InChIInChI=1S/C38H30N2O/c1-37(2)29-13-7-5-11-25(29)26-19-17-23(21-30(26)38(37,3)4)35-36(40-32-15-9-8-14-31(32)39-35)24-18-20-28-27-12-6-10-16-33(27)41-34(28)22-24/h5-22H,1-4H3
InChIKeyPDUMPXDIHAKXEP-UHFFFAOYSA-N
XLogP10.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline
CID 163805854
2-dibenzofuran-3-yl-3-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)quinoxaline
CID 163833115
2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline
CID 163673915
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
CID 163671940
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-[3-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 163875373
2-dibenzofuran-3-yl-3-propan-2-ylquinoxaline
CID 163829279
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176588323
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzofuran-1-yl-3-(4-phenylphenyl)quinoxaline
CID 158835789
2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine
CID 163949452
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176587483
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163803074

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline?
The IUPAC name of 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline (CID 163862522) is 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline.
What is the SMILES notation for 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline?
The canonical SMILES for 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline is CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)cc2C1(C)C.
What is the InChIKey of 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline?
The InChIKey is PDUMPXDIHAKXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2O/c1-37(2)29-13-7-5-11-25(29)26-19-17-23(21-30(26)38(37,3)4)35-36(40-32-15-9-8-14-31(32)39-35)24-18-20-28-27-12-6-10-16-33(27)41-34(28)22-24/h5-22H,1-4H3.
What are the key properties of 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline?
2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline has a molecular weight of 530.67 g/mol, XLogP of 10.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline is sourced from PubChem (CID 163862522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).