4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine

C58H41N3O2 — CID 170247584

IUPAC4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4cccc(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)c4nc(-c5ccccc5)oc4c3)cc21
InChIInChI=1S/C58H41N3O2/c1-58(2)50-27-14-12-25-46(50)47-31-29-44(35-51(47)58)60(41-22-10-5-11-23-41)45-36-52(56-55(37-45)63-57(59-56)39-19-8-4-9-20-39)61(42-24-16-21-40(33-42)38-17-6-3-7-18-38)43-30-32-54-49(34-43)48-26-13-15-28-53(48)62-54/h3-37H,1-2H3
InChIKeyGCYBSBOEUPKIJA-UHFFFAOYSA-N
MW811.99 g/mol
LogP16.31
Rot. Bonds8

About 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine

4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine (PubChem CID 170247584) has the molecular formula C58H41N3O2 and a molecular weight of 811.99 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
PubChem CID170247584
Molecular FormulaC58H41N3O2
Molecular Weight811.99 g/mol
Exact Mass811.32
IUPAC Name4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4cccc(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)c4nc(-c5ccccc5)oc4c3)cc21
InChIInChI=1S/C58H41N3O2/c1-58(2)50-27-14-12-25-46(50)47-31-29-44(35-51(47)58)60(41-22-10-5-11-23-41)45-36-52(56-55(37-45)63-57(59-56)39-19-8-4-9-20-39)61(42-24-16-21-40(33-42)38-17-6-3-7-18-38)43-30-32-54-49(34-43)48-26-13-15-28-53(48)62-54/h3-37H,1-2H3
InChIKeyGCYBSBOEUPKIJA-UHFFFAOYSA-N
XLogP16.31
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.99
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine 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

4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170247586
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-dibenzofuran-3-yl-N-(3-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine
CID 158236327
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158931767
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785645
3-N-dibenzofuran-2-yl-3-N-[4-(9,9-dimethylindeno[1,2-f][1,3]benzoxazol-2-yl)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 172504242
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine?
The IUPAC name of 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine (CID 170247584) is 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine.
What is the SMILES notation for 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine?
The canonical SMILES for 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4cccc(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)c4nc(-c5ccccc5)oc4c3)cc21.
What is the InChIKey of 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine?
The InChIKey is GCYBSBOEUPKIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O2/c1-58(2)50-27-14-12-25-46(50)47-31-29-44(35-51(47)58)60(41-22-10-5-11-23-41)45-36-52(56-55(37-45)63-57(59-56)39-19-8-4-9-20-39)61(42-24-16-21-40(33-42)38-17-6-3-7-18-38)43-30-32-54-49(34-43)48-26-13-15-28-53(48)62-54/h3-37H,1-2H3.
What are the key properties of 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine?
4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine has a molecular weight of 811.99 g/mol, XLogP of 16.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine is sourced from PubChem (CID 170247584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).