N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine

C49H32N2OS — CID 176785818

IUPACN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2nc3c(-c4ccccc4)ccc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccccc5-c5ccccc5)cc4)c3o2)cc1
InChIInChI=1S/C49H32N2OS/c1-4-14-33(15-5-1)39-20-10-12-22-44(39)51(38-28-31-46-43(32-38)42-21-11-13-23-45(42)53-46)37-26-24-35(25-27-37)41-30-29-40(34-16-6-2-7-17-34)47-48(41)52-49(50-47)36-18-8-3-9-19-36/h1-32H
InChIKeyYDKNIAJANQAARD-UHFFFAOYSA-N
MW696.88 g/mol
LogP14.33
Rot. Bonds7

About N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine

N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 176785818) has the molecular formula C49H32N2OS and a molecular weight of 696.88 g/mol. Its IUPAC name is N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine
PubChem CID176785818
Molecular FormulaC49H32N2OS
Molecular Weight696.88 g/mol
Exact Mass696.22
IUPAC NameN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2nc3c(-c4ccccc4)ccc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccccc5-c5ccccc5)cc4)c3o2)cc1
InChIInChI=1S/C49H32N2OS/c1-4-14-33(15-5-1)39-20-10-12-22-44(39)51(38-28-31-46-43(32-38)42-21-11-13-23-45(42)53-46)37-26-24-35(25-27-37)41-30-29-40(34-16-6-2-7-17-34)47-48(41)52-49(50-47)36-18-8-3-9-19-36/h1-32H
InChIKeyYDKNIAJANQAARD-UHFFFAOYSA-N
XLogP14.33
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.88
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 176785571
N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-amine
CID 171411779
N-dibenzothiophen-2-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167396326
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 170395497
N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 161492434
2-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411790
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
CID 176785610
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396444
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502933
N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176785597
2-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-amine
CID 171455965

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine (CID 176785818) is N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2nc3c(-c4ccccc4)ccc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccccc5-c5ccccc5)cc4)c3o2)cc1.
What is the InChIKey of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is YDKNIAJANQAARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2OS/c1-4-14-33(15-5-1)39-20-10-12-22-44(39)51(38-28-31-46-43(32-38)42-21-11-13-23-45(42)53-46)37-26-24-35(25-27-37)41-30-29-40(34-16-6-2-7-17-34)47-48(41)52-49(50-47)36-18-8-3-9-19-36/h1-32H.
What are the key properties of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine?
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 696.88 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 176785818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).