2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline

C44H29N3 — CID 162702031

IUPAC2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3ccc4nc5c(nc4c3)c3ccccc3n5-c3ccccc3)c2)c([2H])c1[2H]
InChIInChI=1S/C44H29N3/c1-4-13-30(14-5-1)32-17-12-18-33(25-32)36-26-35(31-15-6-2-7-16-31)27-37(28-36)34-23-24-40-41(29-34)45-43-39-21-10-11-22-42(39)47(44(43)46-40)38-19-8-3-9-20-38/h1-29H/i2D,6D,7D,15D,16D
InChIKeyXGFXTLZEQIEJGE-RGKSOHIZSA-N
MW604.77 g/mol
LogP11.39
Rot. Bonds5

About 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline

2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline (PubChem CID 162702031) has the molecular formula C44H29N3 and a molecular weight of 604.77 g/mol. Its IUPAC name is 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline.

Molecular Properties

Compound Name2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline
PubChem CID162702031
Molecular FormulaC44H29N3
Molecular Weight604.77 g/mol
Exact Mass604.27
IUPAC Name2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3ccc4nc5c(nc4c3)c3ccccc3n5-c3ccccc3)c2)c([2H])c1[2H]
InChIInChI=1S/C44H29N3/c1-4-13-30(14-5-1)32-17-12-18-33(25-32)36-26-35(31-15-6-2-7-16-31)27-37(28-36)34-23-24-40-41(29-34)45-43-39-21-10-11-22-42(39)47(44(43)46-40)38-19-8-3-9-20-38/h1-29H/i2D,6D,7D,15D,16D
InChIKeyXGFXTLZEQIEJGE-RGKSOHIZSA-N
XLogP11.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.77
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline with MolForge

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Related Compounds

9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline
CID 90336687
9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
CID 162702048
2-[3-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 169070976
9-(3,5-diphenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-b]quinoxaline;9-(3,5-diphenylphenyl)-6-(4-phenyl-2-pyridinyl)indolo[3,2-b]quinoxaline;9-(3,5-diphenylphenyl)-6-(5-phenyl-2-pyridinyl)indolo[3,2-b]quinoxaline
CID 163553902
8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline
CID 162701995
7-phenyl-21-(9-phenylcarbazol-4-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4(9),5,7,10,13,15,17,19(23),20-undecaene
CID 126578035
9-[3-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164959848
6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline
CID 162702020
25-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;25-phenyl-26-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;25-phenyl-26-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 163565557
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161403390

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline?
The IUPAC name of 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline (CID 162702031) is 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline.
What is the SMILES notation for 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline?
The canonical SMILES for 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline is [2H]c1c([2H])c([2H])c(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3ccc4nc5c(nc4c3)c3ccccc3n5-c3ccccc3)c2)c([2H])c1[2H].
What is the InChIKey of 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline?
The InChIKey is XGFXTLZEQIEJGE-RGKSOHIZSA-N. The full InChI is InChI=1S/C44H29N3/c1-4-13-30(14-5-1)32-17-12-18-33(25-32)36-26-35(31-15-6-2-7-16-31)27-37(28-36)34-23-24-40-41(29-34)45-43-39-21-10-11-22-42(39)47(44(43)46-40)38-19-8-3-9-20-38/h1-29H/i2D,6D,7D,15D,16D.
What are the key properties of 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline?
2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline has a molecular weight of 604.77 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline is sourced from PubChem (CID 162702031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).