2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine

C45H28N4O3 — CID 163575240

IUPAC2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine
SMILESc1ccc(-c2nc3cc(-c4ccc(N(c5ccc6nc(-c7ccccc7)oc6c5)c5ccc6nc(-c7ccccc7)oc6c5)cc4)ccc3o2)cc1
InChIInChI=1S/C45H28N4O3/c1-4-10-30(11-5-1)43-46-37-23-21-35(27-41(37)51-43)49(36-22-24-38-42(28-36)52-44(47-38)31-12-6-2-7-13-31)34-19-16-29(17-20-34)33-18-25-40-39(26-33)48-45(50-40)32-14-8-3-9-15-32/h1-28H
InChIKeyGCWFNEREZNUKQF-UHFFFAOYSA-N
MW672.74 g/mol
LogP12.25
Rot. Bonds7

About 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine

2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine (PubChem CID 163575240) has the molecular formula C45H28N4O3 and a molecular weight of 672.74 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine
PubChem CID163575240
Molecular FormulaC45H28N4O3
Molecular Weight672.74 g/mol
Exact Mass672.22
IUPAC Name2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine
SMILESc1ccc(-c2nc3cc(-c4ccc(N(c5ccc6nc(-c7ccccc7)oc6c5)c5ccc6nc(-c7ccccc7)oc6c5)cc4)ccc3o2)cc1
InChIInChI=1S/C45H28N4O3/c1-4-10-30(11-5-1)43-46-37-23-21-35(27-41(37)51-43)49(36-22-24-38-42(28-36)52-44(47-38)31-12-6-2-7-13-31)34-19-16-29(17-20-34)33-18-25-40-39(26-33)48-45(50-40)32-14-8-3-9-15-32/h1-28H
InChIKeyGCWFNEREZNUKQF-UHFFFAOYSA-N
XLogP12.25
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.74
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine
CID 158680796
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129536
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128243
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167128103
N-(6-phenanthren-3-ylnaphthalen-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 164939222
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
4-[2-[2-[4-[6-(4-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228630

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine (CID 163575240) is 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine is c1ccc(-c2nc3cc(-c4ccc(N(c5ccc6nc(-c7ccccc7)oc6c5)c5ccc6nc(-c7ccccc7)oc6c5)cc4)ccc3o2)cc1.
What is the InChIKey of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine?
The InChIKey is GCWFNEREZNUKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O3/c1-4-10-30(11-5-1)43-46-37-23-21-35(27-41(37)51-43)49(36-22-24-38-42(28-36)52-44(47-38)31-12-6-2-7-13-31)34-19-16-29(17-20-34)33-18-25-40-39(26-33)48-45(50-40)32-14-8-3-9-15-32/h1-28H.
What are the key properties of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine?
2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine has a molecular weight of 672.74 g/mol, XLogP of 12.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 163575240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).