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

C49H30N2O3 — CID 177081429

IUPAC9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)c3)c2)cc1
InChIInChI=1S/C49H30N2O3/c1-2-12-31(13-3-1)32-14-8-15-33(28-32)34-16-9-17-35(29-34)51(36-26-27-38-37-18-4-6-23-43(37)52-46(38)30-36)42-22-10-19-39-47-40(20-11-25-45(47)53-48(39)42)49-50-41-21-5-7-24-44(41)54-49/h1-30H
InChIKeyYZRQOOZUQMSSIB-UHFFFAOYSA-N
MW694.79 g/mol
LogP14.10
Rot. Bonds6

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

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 177081429) has the molecular formula C49H30N2O3 and a molecular weight of 694.79 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID177081429
Molecular FormulaC49H30N2O3
Molecular Weight694.79 g/mol
Exact Mass694.23
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)c3)c2)cc1
InChIInChI=1S/C49H30N2O3/c1-2-12-31(13-3-1)32-14-8-15-33(28-32)34-16-9-17-35(29-34)51(36-26-27-38-37-18-4-6-23-43(37)52-46(38)30-36)42-22-10-19-39-47-40(20-11-25-45(47)53-48(39)42)49-50-41-21-5-7-24-44(41)54-49/h1-30H
InChIKeyYZRQOOZUQMSSIB-UHFFFAOYSA-N
XLogP14.10
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.79
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-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-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 177081945
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082409
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177081651
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081862
11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 177081876

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 177081429) is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2cccc(-c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)c3)c2)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is YZRQOOZUQMSSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O3/c1-2-12-31(13-3-1)32-14-8-15-33(28-32)34-16-9-17-35(29-34)51(36-26-27-38-37-18-4-6-23-43(37)52-46(38)30-36)42-22-10-19-39-47-40(20-11-25-45(47)53-48(39)42)49-50-41-21-5-7-24-44(41)54-49/h1-30H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 694.79 g/mol, XLogP of 14.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 177081429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).