5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine

C43H31N3O — CID 170247879

IUPAC5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4nc(-c5ccccc5)oc34)cc2)cc1
InChIInChI=1S/C43H31N3O/c1-6-16-32(17-7-1)33-26-28-38(29-27-33)46(37-24-14-5-15-25-37)41-31-39(30-40-42(41)47-43(44-40)34-18-8-2-9-19-34)45(35-20-10-3-11-21-35)36-22-12-4-13-23-36/h1-31H
InChIKeyNPMZPGKIGJKCFW-UHFFFAOYSA-N
MW605.74 g/mol
LogP12.10
Rot. Bonds8

About 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine

5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine (PubChem CID 170247879) has the molecular formula C43H31N3O and a molecular weight of 605.74 g/mol. Its IUPAC name is 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine.

Molecular Properties

Compound Name5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
PubChem CID170247879
Molecular FormulaC43H31N3O
Molecular Weight605.74 g/mol
Exact Mass605.25
IUPAC Name5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4nc(-c5ccccc5)oc34)cc2)cc1
InChIInChI=1S/C43H31N3O/c1-6-16-32(17-7-1)33-26-28-38(29-27-33)46(37-24-14-5-15-25-37)41-31-39(30-40-42(41)47-43(44-40)34-18-8-2-9-19-34)45(35-20-10-3-11-21-35)36-22-12-4-13-23-36/h1-31H
InChIKeyNPMZPGKIGJKCFW-UHFFFAOYSA-N
XLogP12.10
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine
CID 170247817
5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
CID 170247788
7-N-naphthalen-2-yl-7-N,9-N,9-N,2-tetraphenylbenzo[g][1,3]benzoxazole-7,9-diamine
CID 170247961
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125
5-N,5-N,9-N,9-N,2-pentakis-phenylnaphtho[2,1-g][1,3]benzoxazole-5,9-diamine
CID 170410514
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 155473991
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
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
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-yl)benzene-1,3-diamine
CID 171416971
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167124758

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine?
The IUPAC name of 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine (CID 170247879) is 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine.
What is the SMILES notation for 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine?
The canonical SMILES for 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4nc(-c5ccccc5)oc34)cc2)cc1.
What is the InChIKey of 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine?
The InChIKey is NPMZPGKIGJKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3O/c1-6-16-32(17-7-1)33-26-28-38(29-27-33)46(37-24-14-5-15-25-37)41-31-39(30-40-42(41)47-43(44-40)34-18-8-2-9-19-34)45(35-20-10-3-11-21-35)36-22-12-4-13-23-36/h1-31H.
What are the key properties of 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine?
5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine has a molecular weight of 605.74 g/mol, XLogP of 12.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine is sourced from PubChem (CID 170247879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).