7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline

C39H27N2OP — CID 145179941

IUPAC7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3c4ccccc4n4c3cnc3ccccc34)c2)cc1
InChIInChI=1S/C39H27N2OP/c42-43(31-14-3-1-4-15-31,32-16-5-2-6-17-32)33-24-22-28(23-25-33)29-12-11-13-30(26-29)39-34-18-7-9-20-36(34)41-37-21-10-8-19-35(37)40-27-38(39)41/h1-27H
InChIKeyJAZWXBMMXDZEQF-UHFFFAOYSA-N
MW570.63 g/mol
LogP8.61
Rot. Bonds5

About 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline

7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline (PubChem CID 145179941) has the molecular formula C39H27N2OP and a molecular weight of 570.63 g/mol. Its IUPAC name is 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline
PubChem CID145179941
Molecular FormulaC39H27N2OP
Molecular Weight570.63 g/mol
Exact Mass570.19
IUPAC Name7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3c4ccccc4n4c3cnc3ccccc34)c2)cc1
InChIInChI=1S/C39H27N2OP/c42-43(31-14-3-1-4-15-31,32-16-5-2-6-17-32)33-24-22-28(23-25-33)29-12-11-13-30(26-29)39-34-18-7-9-20-36(34)41-37-21-10-8-19-35(37)40-27-38(39)41/h1-27H
InChIKeyJAZWXBMMXDZEQF-UHFFFAOYSA-N
XLogP8.61
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.63
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180348
7-[4-(4-carbazol-9-ylphenyl)phenyl]indolo[1,2-a]quinoxaline
CID 145180155
7-[4-[4-(6-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180542
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180557
7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline
CID 145180495
9-(3-diphenylphosphorylphenyl)acridine
CID 146204114
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline
CID 163957549
6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509181
9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole
CID 102197323
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline?
The IUPAC name of 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline (CID 145179941) is 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3c4ccccc4n4c3cnc3ccccc34)c2)cc1.
What is the InChIKey of 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline?
The InChIKey is JAZWXBMMXDZEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N2OP/c42-43(31-14-3-1-4-15-31,32-16-5-2-6-17-32)33-24-22-28(23-25-33)29-12-11-13-30(26-29)39-34-18-7-9-20-36(34)41-37-21-10-8-19-35(37)40-27-38(39)41/h1-27H.
What are the key properties of 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline?
7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline has a molecular weight of 570.63 g/mol, XLogP of 8.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145179941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).