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

C43H26N2O3 — CID 167124362

IUPACN-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2ccc(N(c3cc4oc5ccccc5c4c4oc(-c5ccccc5)nc34)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C43H26N2O3/c1-3-12-27(13-4-1)28-22-24-30(25-23-28)45(33-18-11-21-37-39(33)31-16-7-9-19-35(31)46-37)34-26-38-40(32-17-8-10-20-36(32)47-38)42-41(34)44-43(48-42)29-14-5-2-6-15-29/h1-26H
InChIKeyFTPPJWLBUAPVNA-UHFFFAOYSA-N
MW618.69 g/mol
LogP12.43
Rot. Bonds5

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

N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine (PubChem CID 167124362) has the molecular formula C43H26N2O3 and a molecular weight of 618.69 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
PubChem CID167124362
Molecular FormulaC43H26N2O3
Molecular Weight618.69 g/mol
Exact Mass618.19
IUPAC NameN-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2ccc(N(c3cc4oc5ccccc5c4c4oc(-c5ccccc5)nc34)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C43H26N2O3/c1-3-12-27(13-4-1)28-22-24-30(25-23-28)45(33-18-11-21-37-39(33)31-16-7-9-19-35(31)46-37)34-26-38-40(32-17-8-10-20-36(32)47-38)42-41(34)44-43(48-42)29-14-5-2-6-15-29/h1-26H
InChIKeyFTPPJWLBUAPVNA-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

N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167123009
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123804
6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine
CID 170247666
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167123039
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589
2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
CID 167123589
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine
CID 170023425
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124784
N-[4-(7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177089709
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124873

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine (CID 167124362) is N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine is c1ccc(-c2ccc(N(c3cc4oc5ccccc5c4c4oc(-c5ccccc5)nc34)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine?
The InChIKey is FTPPJWLBUAPVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O3/c1-3-12-27(13-4-1)28-22-24-30(25-23-28)45(33-18-11-21-37-39(33)31-16-7-9-19-35(31)46-37)34-26-38-40(32-17-8-10-20-36(32)47-38)42-41(34)44-43(48-42)29-14-5-2-6-15-29/h1-26H.
What are the key properties of N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine?
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-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 N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine is sourced from PubChem (CID 167124362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).