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

C47H28N2O3 — CID 177081808

IUPAC9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)cc3)ccc2c1
InChIInChI=1S/C47H28N2O3/c1-2-10-31-27-32(20-19-29(31)9-1)30-21-23-33(24-22-30)49(34-25-26-36-35-11-3-5-16-41(35)50-44(36)28-34)40-15-7-12-37-45-38(13-8-18-43(45)51-46(37)40)47-48-39-14-4-6-17-42(39)52-47/h1-28H
InChIKeyWAUUBONMPSXGRQ-UHFFFAOYSA-N
MW668.75 g/mol
LogP13.58
Rot. Bonds5

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

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 177081808) has the molecular formula C47H28N2O3 and a molecular weight of 668.75 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
PubChem CID177081808
Molecular FormulaC47H28N2O3
Molecular Weight668.75 g/mol
Exact Mass668.21
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)cc3)ccc2c1
InChIInChI=1S/C47H28N2O3/c1-2-10-31-27-32(20-19-29(31)9-1)30-21-23-33(24-22-30)49(34-25-26-36-35-11-3-5-16-41(35)50-44(36)28-34)40-15-7-12-37-45-38(13-8-18-43(45)51-46(37)40)47-48-39-14-4-6-17-42(39)52-47/h1-28H
InChIKeyWAUUBONMPSXGRQ-UHFFFAOYSA-N
XLogP13.58
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.75
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
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-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177081429
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081350
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 177081945
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081862
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-phenylphenyl)dibenzofuran-1-amine
CID 177081856
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-2-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177082079

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine (CID 177081808) is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine is c1ccc2cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)cc3)ccc2c1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The InChIKey is WAUUBONMPSXGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O3/c1-2-10-31-27-32(20-19-29(31)9-1)30-21-23-33(24-22-30)49(34-25-26-36-35-11-3-5-16-41(35)50-44(36)28-34)40-15-7-12-37-45-38(13-8-18-43(45)51-46(37)40)47-48-39-14-4-6-17-42(39)52-47/h1-28H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine has a molecular weight of 668.75 g/mol, XLogP of 13.58, 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-naphthalen-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 177081808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).