N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine

C43H28N2O3 — CID 167123024

IUPACN-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine
SMILESC1=CCC2C(=C1)Oc1cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)c3nc(-c4ccccc4)oc3c12
InChIInChI=1S/C43H28N2O3/c1-3-12-28(13-4-1)43-44-40-34(26-38-39(42(40)48-43)33-17-8-10-21-37(33)46-38)27-22-24-30(25-23-27)45(29-14-5-2-6-15-29)35-19-11-18-32-31-16-7-9-20-36(31)47-41(32)35/h1-16,18-26,33H,17H2
InChIKeyQFXAAKLWBRMNFN-UHFFFAOYSA-N
MW620.71 g/mol
LogP11.85
Rot. Bonds5

About N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine

N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine (PubChem CID 167123024) has the molecular formula C43H28N2O3 and a molecular weight of 620.71 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine
PubChem CID167123024
Molecular FormulaC43H28N2O3
Molecular Weight620.71 g/mol
Exact Mass620.21
IUPAC NameN-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine
SMILESC1=CCC2C(=C1)Oc1cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)c3nc(-c4ccccc4)oc3c12
InChIInChI=1S/C43H28N2O3/c1-3-12-28(13-4-1)43-44-40-34(26-38-39(42(40)48-43)33-17-8-10-21-37(33)46-38)27-22-24-30(25-23-27)45(29-14-5-2-6-15-29)35-19-11-18-32-31-16-7-9-20-36(31)47-41(32)35/h1-16,18-26,33H,17H2
InChIKeyQFXAAKLWBRMNFN-UHFFFAOYSA-N
XLogP11.85
TPSA51.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.71
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 174270374
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167123009
5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
CID 170247788
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine
CID 170247817
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112985
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
CID 176851605
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123804
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 170395135

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine (CID 167123024) is N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine is C1=CCC2C(=C1)Oc1cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)c3nc(-c4ccccc4)oc3c12.
What is the InChIKey of N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is QFXAAKLWBRMNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O3/c1-3-12-28(13-4-1)43-44-40-34(26-38-39(42(40)48-43)33-17-8-10-21-37(33)46-38)27-22-24-30(25-23-27)45(29-14-5-2-6-15-29)35-19-11-18-32-31-16-7-9-20-36(31)47-41(32)35/h1-16,18-26,33H,17H2.
What are the key properties of N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine?
N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 620.71 g/mol, XLogP of 11.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 167123024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).