2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol

C41H28N4O — CID 153280508

IUPAC2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2cccc(N(c3cccc4ccccc34)c3nccc4ccccc34)c2)cnc1-c1ccccc1
InChIInChI=1S/C41H28N4O/c46-38-23-9-8-21-35(38)40-39(30-14-2-1-3-15-30)43-27-36(44-40)31-17-10-18-32(26-31)45(37-22-11-16-28-12-4-6-19-33(28)37)41-34-20-7-5-13-29(34)24-25-42-41/h1-27,46H
InChIKeyNBRDWPHAPKFYEI-UHFFFAOYSA-N
MW592.70 g/mol
LogP10.35
Rot. Bonds6

About 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol

2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol (PubChem CID 153280508) has the molecular formula C41H28N4O and a molecular weight of 592.70 g/mol. Its IUPAC name is 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol
PubChem CID153280508
Molecular FormulaC41H28N4O
Molecular Weight592.70 g/mol
Exact Mass592.23
IUPAC Name2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2cccc(N(c3cccc4ccccc34)c3nccc4ccccc34)c2)cnc1-c1ccccc1
InChIInChI=1S/C41H28N4O/c46-38-23-9-8-21-35(38)40-39(30-14-2-1-3-15-30)43-27-36(44-40)31-17-10-18-32(26-31)45(37-22-11-16-28-12-4-6-19-33(28)37)41-34-20-7-5-13-29(34)24-25-42-41/h1-27,46H
InChIKeyNBRDWPHAPKFYEI-UHFFFAOYSA-N
XLogP10.35
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-3-phenylpyrazin-2-yl]phenol;2-[2-[3-[isoquinolin-3-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-4-yl]phenol;2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 158213354
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280278
2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 153280523
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
CID 140908506
2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol
CID 153304132
1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine
CID 58612735
N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine
CID 59390724
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol?
The IUPAC name of 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol (CID 153280508) is 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol.
What is the SMILES notation for 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol?
The canonical SMILES for 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol is Oc1ccccc1-c1nc(-c2cccc(N(c3cccc4ccccc34)c3nccc4ccccc34)c2)cnc1-c1ccccc1.
What is the InChIKey of 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol?
The InChIKey is NBRDWPHAPKFYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O/c46-38-23-9-8-21-35(38)40-39(30-14-2-1-3-15-30)43-27-36(44-40)31-17-10-18-32(26-31)45(37-22-11-16-28-12-4-6-19-33(28)37)41-34-20-7-5-13-29(34)24-25-42-41/h1-27,46H.
What are the key properties of 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol?
2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol has a molecular weight of 592.70 g/mol, XLogP of 10.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol is sourced from PubChem (CID 153280508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).