N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine

C47H32N2O — CID 155473991

IUPACN,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(-c3nc4ccc5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5c4o3)cc2)cc1
InChIInChI=1S/C47H32N2O/c1-4-10-33(11-5-1)36-16-18-40(19-17-36)47-48-45-31-25-39-24-30-43(32-44(39)46(45)50-47)49(41-26-20-37(21-27-41)34-12-6-2-7-13-34)42-28-22-38(23-29-42)35-14-8-3-9-15-35/h1-32H
InChIKeyNKYDTORHOBVRTN-UHFFFAOYSA-N
MW640.79 g/mol
LogP13.12
Rot. Bonds7

About N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine

N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine (PubChem CID 155473991) has the molecular formula C47H32N2O and a molecular weight of 640.79 g/mol. Its IUPAC name is N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
PubChem CID155473991
Molecular FormulaC47H32N2O
Molecular Weight640.79 g/mol
Exact Mass640.25
IUPAC NameN,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(-c3nc4ccc5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5c4o3)cc2)cc1
InChIInChI=1S/C47H32N2O/c1-4-10-33(11-5-1)36-16-18-40(19-17-36)47-48-45-31-25-39-24-30-43(32-44(39)46(45)50-47)49(41-26-20-37(21-27-41)34-12-6-2-7-13-34)42-28-22-38(23-29-42)35-14-8-3-9-15-35/h1-32H
InChIKeyNKYDTORHOBVRTN-UHFFFAOYSA-N
XLogP13.12
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3,5-triamine
CID 171417112
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155473984
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473862
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
3-N-naphthalen-2-yl-1-N,1-N-diphenyl-3-N-[3-(N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)anilino)phenyl]benzene-1,3-diamine
CID 171417102
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
1-N-[3-(N-naphthalen-1-ylanilino)phenyl]-1-N,3-N-diphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417056
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 162702037
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124553
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429

Frequently Asked Questions

What is the IUPAC name of N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine?
The IUPAC name of N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine (CID 155473991) is N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine?
The canonical SMILES for N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine is c1ccc(-c2ccc(-c3nc4ccc5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5c4o3)cc2)cc1.
What is the InChIKey of N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine?
The InChIKey is NKYDTORHOBVRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O/c1-4-10-33(11-5-1)36-16-18-40(19-17-36)47-48-45-31-25-39-24-30-43(32-44(39)46(45)50-47)49(41-26-20-37(21-27-41)34-12-6-2-7-13-34)42-28-22-38(23-29-42)35-14-8-3-9-15-35/h1-32H.
What are the key properties of N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine?
N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine has a molecular weight of 640.79 g/mol, XLogP of 13.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 155473991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).