N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine

C46H36N2O2 — CID 158596752

IUPACN-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine
SMILESC1=COC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)C4C=CC=CO4)cc3)cc2)C=C1
InChIInChI=1S/C46H36N2O2/c1-3-11-35(12-4-1)37-17-25-41(26-18-37)47(45-15-7-9-33-49-45)43-29-21-39(22-30-43)40-23-31-44(32-24-40)48(46-16-8-10-34-50-46)42-27-19-38(20-28-42)36-13-5-2-6-14-36/h1-34,45-46H
InChIKeyHVCZMXMBMTVTND-UHFFFAOYSA-N
MW648.81 g/mol
LogP11.82
Rot. Bonds9

About N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine

N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine (PubChem CID 158596752) has the molecular formula C46H36N2O2 and a molecular weight of 648.81 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine
PubChem CID158596752
Molecular FormulaC46H36N2O2
Molecular Weight648.81 g/mol
Exact Mass648.28
IUPAC NameN-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine
SMILESC1=COC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)C4C=CC=CO4)cc3)cc2)C=C1
InChIInChI=1S/C46H36N2O2/c1-3-11-35(12-4-1)37-17-25-41(26-18-37)47(45-15-7-9-33-49-45)43-29-21-39(22-30-43)40-23-31-44(32-24-40)48(46-16-8-10-34-50-46)42-27-19-38(20-28-42)36-13-5-2-6-14-36/h1-34,45-46H
InChIKeyHVCZMXMBMTVTND-UHFFFAOYSA-N
XLogP11.82
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129301089
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 144687013
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
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
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
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
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine (CID 158596752) is N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine is C1=COC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)C4C=CC=CO4)cc3)cc2)C=C1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine?
The InChIKey is HVCZMXMBMTVTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2O2/c1-3-11-35(12-4-1)37-17-25-41(26-18-37)47(45-15-7-9-33-49-45)43-29-21-39(22-30-43)40-23-31-44(32-24-40)48(46-16-8-10-34-50-46)42-27-19-38(20-28-42)36-13-5-2-6-14-36/h1-34,45-46H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine?
N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine has a molecular weight of 648.81 g/mol, XLogP of 11.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(2H-pyran-2-yl)anilino]phenyl]phenyl]-2H-pyran-2-amine is sourced from PubChem (CID 158596752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).