N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine

C43H24N2O3S — CID 167129313

IUPACN-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3cc4c(oc5ccccc54)c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccccc6c5c4)c3o2)cc1
InChIInChI=1S/C43H24N2O3S/c1-2-10-25(11-3-1)43-44-34-24-33-29-13-5-8-16-36(29)47-41(33)40(42(34)48-43)45(26-19-21-39-32(22-26)31-14-6-9-17-38(31)49-39)27-18-20-30-28-12-4-7-15-35(28)46-37(30)23-27/h1-24H
InChIKeyNSPQTDUDYQWAQQ-UHFFFAOYSA-N
MW648.74 g/mol
LogP13.13
Rot. Bonds4

About N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine

N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine (PubChem CID 167129313) has the molecular formula C43H24N2O3S and a molecular weight of 648.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
PubChem CID167129313
Molecular FormulaC43H24N2O3S
Molecular Weight648.74 g/mol
Exact Mass648.15
IUPAC NameN-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3cc4c(oc5ccccc54)c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccccc6c5c4)c3o2)cc1
InChIInChI=1S/C43H24N2O3S/c1-2-10-25(11-3-1)43-44-34-24-33-29-13-5-8-16-36(29)47-41(33)40(42(34)48-43)45(26-19-21-39-32(22-26)31-14-6-9-17-38(31)49-39)27-18-20-30-28-12-4-7-15-35(28)46-37(30)23-27/h1-24H
InChIKeyNSPQTDUDYQWAQQ-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,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167127377
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125302
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167127343
N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-3-amine
CID 171456571
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine
CID 171456518
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167123703
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine
CID 171455606
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine
CID 171754872
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine (CID 167129313) is N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine is c1ccc(-c2nc3cc4c(oc5ccccc54)c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccccc6c5c4)c3o2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine?
The InChIKey is NSPQTDUDYQWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O3S/c1-2-10-25(11-3-1)43-44-34-24-33-29-13-5-8-16-36(29)47-41(33)40(42(34)48-43)45(26-19-21-39-32(22-26)31-14-6-9-17-38(31)49-39)27-18-20-30-28-12-4-7-15-35(28)46-37(30)23-27/h1-24H.
What are the key properties of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine?
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-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-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine is sourced from PubChem (CID 167129313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).