N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

C43H24N2O3S — CID 167123178

IUPACN-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)sc6ccccc67)ccc5c43)o2)cc1
InChIInChI=1S/C43H24N2O3S/c1-2-8-25(9-3-1)43-44-42-36(48-43)21-20-35-41(42)33-19-16-27(23-38(33)47-35)45(26-14-17-30-29-10-4-6-12-34(29)46-37(30)22-26)28-15-18-32-31-11-5-7-13-39(31)49-40(32)24-28/h1-24H
InChIKeyHGOJJPKMIWFCHA-UHFFFAOYSA-N
MW648.74 g/mol
LogP13.13
Rot. Bonds4

About N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (PubChem CID 167123178) has the molecular formula C43H24N2O3S and a molecular weight of 648.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
PubChem CID167123178
Molecular FormulaC43H24N2O3S
Molecular Weight648.74 g/mol
Exact Mass648.15
IUPAC NameN-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)sc6ccccc67)ccc5c43)o2)cc1
InChIInChI=1S/C43H24N2O3S/c1-2-8-25(9-3-1)43-44-42-36(48-43)21-20-35-41(42)33-19-16-27(23-38(33)47-35)45(26-14-17-30-29-10-4-6-12-34(29)46-37(30)22-26)28-15-18-32-31-11-5-7-13-39(31)49-40(32)24-28/h1-24H
InChIKeyHGOJJPKMIWFCHA-UHFFFAOYSA-N
XLogP13.13
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.74
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123968
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123462
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-3-amine
CID 171411740
N-benzo[g]phenanthren-3-yl-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 167183946
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
N-dibenzothiophen-3-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032222
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123209

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (CID 167123178) is N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is c1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)sc6ccccc67)ccc5c43)o2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The InChIKey is HGOJJPKMIWFCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O3S/c1-2-8-25(9-3-1)43-44-42-36(48-43)21-20-35-41(42)33-19-16-27(23-38(33)47-35)45(26-14-17-30-29-10-4-6-12-34(29)46-37(30)22-26)28-15-18-32-31-11-5-7-13-39(31)49-40(32)24-28/h1-24H.
What are the key properties of N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine has a molecular weight of 648.74 g/mol, XLogP of 13.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167123178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).