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

C43H26N2O3 — CID 177081856

IUPAC9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5cccc(-c6nc7ccccc7o6)c5c34)cc2)cc1
InChIInChI=1S/C43H26N2O3/c1-2-10-27(11-3-1)28-20-22-29(23-21-28)45(30-24-25-32-31-12-4-6-16-36(31)46-40(32)26-30)35-15-9-19-39-42(35)41-33(13-8-18-38(41)47-39)43-44-34-14-5-7-17-37(34)48-43/h1-26H
InChIKeyKRMIRSDFOKGJEW-UHFFFAOYSA-N
MW618.69 g/mol
LogP12.43
Rot. Bonds5

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

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 177081856) has the molecular formula C43H26N2O3 and a molecular weight of 618.69 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID177081856
Molecular FormulaC43H26N2O3
Molecular Weight618.69 g/mol
Exact Mass618.19
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5cccc(-c6nc7ccccc7o6)c5c34)cc2)cc1
InChIInChI=1S/C43H26N2O3/c1-2-10-27(11-3-1)28-20-22-29(23-21-28)45(30-24-25-32-31-12-4-6-16-36(31)46-40(32)26-30)35-15-9-19-39-42(35)41-33(13-8-18-38(41)47-39)43-44-34-14-5-7-17-37(34)48-43/h1-26H
InChIKeyKRMIRSDFOKGJEW-UHFFFAOYSA-N
XLogP12.43
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177081429
9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177081618
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
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-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081350
9-benzo[g][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177082016
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-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 177081823
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(8-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081939

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 177081856) is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5cccc(-c6nc7ccccc7o6)c5c34)cc2)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is KRMIRSDFOKGJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O3/c1-2-10-27(11-3-1)28-20-22-29(23-21-28)45(30-24-25-32-31-12-4-6-16-36(31)46-40(32)26-30)35-15-9-19-39-42(35)41-33(13-8-18-38(41)47-39)43-44-34-14-5-7-17-37(34)48-43/h1-26H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 618.69 g/mol, XLogP of 12.43, 5 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-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177081856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).