9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C50H34N2O2 — CID 177081245

IUPAC9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cccc(-c5nc6c(ccc7ccccc76)o5)c34)ccc21
InChIInChI=1S/C50H34N2O2/c1-50(2)42-17-9-8-15-38(42)41-29-35(25-27-43(41)50)52(34-22-19-32(20-23-34)31-11-4-3-5-12-31)36-24-26-39-46(30-36)53-44-18-10-16-40(47(39)44)49-51-48-37-14-7-6-13-33(37)21-28-45(48)54-49/h3-30H,1-2H3
InChIKeyDGAGAQHZWJACAD-UHFFFAOYSA-N
MW694.83 g/mol
LogP13.99
Rot. Bonds5

About 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 177081245) has the molecular formula C50H34N2O2 and a molecular weight of 694.83 g/mol. Its IUPAC name is 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID177081245
Molecular FormulaC50H34N2O2
Molecular Weight694.83 g/mol
Exact Mass694.26
IUPAC Name9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cccc(-c5nc6c(ccc7ccccc76)o5)c34)ccc21
InChIInChI=1S/C50H34N2O2/c1-50(2)42-17-9-8-15-38(42)41-29-35(25-27-43(41)50)52(34-22-19-32(20-23-34)31-11-4-3-5-12-31)36-24-26-39-46(30-36)53-44-18-10-16-40(47(39)44)49-51-48-37-14-7-6-13-33(37)21-28-45(48)54-49/h3-30H,1-2H3
InChIKeyDGAGAQHZWJACAD-UHFFFAOYSA-N
XLogP13.99
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.83
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-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

9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081908
9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine
CID 177081954
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170035375
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
CID 167182629
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]fluoren-3-amine
CID 176785921
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-1-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177081499
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine
CID 170126953
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081271
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-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128961

Frequently Asked Questions

What is the IUPAC name of 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 177081245) is 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cccc(-c5nc6c(ccc7ccccc76)o5)c34)ccc21.
What is the InChIKey of 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is DGAGAQHZWJACAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O2/c1-50(2)42-17-9-8-15-38(42)41-29-35(25-27-43(41)50)52(34-22-19-32(20-23-34)31-11-4-3-5-12-31)36-24-26-39-46(30-36)53-44-18-10-16-40(47(39)44)49-51-48-37-14-7-6-13-33(37)21-28-45(48)54-49/h3-30H,1-2H3.
What are the key properties of 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 694.83 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177081245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).