4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline

C44H32NOP — CID 139172661

IUPAC4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline
SMILESO=[P@]1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21
InChIInChI=1S/C44H32NOP/c46-47(39-25-14-5-15-26-39)43(35-19-8-2-9-20-35)42(34-17-6-1-7-18-34)41-28-16-27-40(44(41)47)33-29-31-38(32-30-33)45(36-21-10-3-11-22-36)37-23-12-4-13-24-37/h1-32H/t47-/m1/s1
InChIKeyZVJYRSUBGIYVQW-QZNUWAOFSA-N
MW621.72 g/mol
LogP11.07
Rot. Bonds7

About 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline

4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline (PubChem CID 139172661) has the molecular formula C44H32NOP and a molecular weight of 621.72 g/mol. Its IUPAC name is 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline
PubChem CID139172661
Molecular FormulaC44H32NOP
Molecular Weight621.72 g/mol
Exact Mass621.22
IUPAC Name4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline
SMILESO=[P@]1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21
InChIInChI=1S/C44H32NOP/c46-47(39-25-14-5-15-26-39)43(35-19-8-2-9-20-35)42(34-17-6-1-7-18-34)41-28-16-27-40(44(41)47)33-29-31-38(32-30-33)45(36-21-10-3-11-22-36)37-23-12-4-13-24-37/h1-32H/t47-/m1/s1
InChIKeyZVJYRSUBGIYVQW-QZNUWAOFSA-N
XLogP11.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.72
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide
CID 101475124
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline (CID 139172661) is 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline is O=[P@]1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21.
What is the InChIKey of 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline?
The InChIKey is ZVJYRSUBGIYVQW-QZNUWAOFSA-N. The full InChI is InChI=1S/C44H32NOP/c46-47(39-25-14-5-15-26-39)43(35-19-8-2-9-20-35)42(34-17-6-1-7-18-34)41-28-16-27-40(44(41)47)33-29-31-38(32-30-33)45(36-21-10-3-11-22-36)37-23-12-4-13-24-37/h1-32H/t47-/m1/s1.
What are the key properties of 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline?
4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline has a molecular weight of 621.72 g/mol, XLogP of 11.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline is sourced from PubChem (CID 139172661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).