N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine

C53H32N2O3 — CID 171755327

IUPACN-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3ccc(-c4c5ccccc5cc5oc6c(-c7ccc(N(c8ccccc8)c8ccc9c(c8)oc8ccccc89)cc7)cccc6c45)cc3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-12-34(13-4-1)53-54-45-29-24-36(31-48(45)58-53)50-40-17-8-7-14-35(40)30-49-51(50)44-20-11-19-41(52(44)57-49)33-22-25-38(26-23-33)55(37-15-5-2-6-16-37)39-27-28-43-42-18-9-10-21-46(42)56-47(43)32-39/h1-32H
InChIKeyQLAKEUGMNUGWGQ-UHFFFAOYSA-N
MW744.85 g/mol
LogP15.25
Rot. Bonds6

About N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine

N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine (PubChem CID 171755327) has the molecular formula C53H32N2O3 and a molecular weight of 744.85 g/mol. Its IUPAC name is N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine
PubChem CID171755327
Molecular FormulaC53H32N2O3
Molecular Weight744.85 g/mol
Exact Mass744.24
IUPAC NameN-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3ccc(-c4c5ccccc5cc5oc6c(-c7ccc(N(c8ccccc8)c8ccc9c(c8)oc8ccccc89)cc7)cccc6c45)cc3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-12-34(13-4-1)53-54-45-29-24-36(31-48(45)58-53)50-40-17-8-7-14-35(40)30-49-51(50)44-20-11-19-41(52(44)57-49)33-22-25-38(26-23-33)55(37-15-5-2-6-16-37)39-27-28-43-42-18-9-10-21-46(42)56-47(43)32-39/h1-32H
InChIKeyQLAKEUGMNUGWGQ-UHFFFAOYSA-N
XLogP15.25
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.85
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine
CID 171755442
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
CID 170776922
N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline
CID 171754984
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
N,4-diphenyl-N-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]aniline
CID 171754733
N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine
CID 171755457
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123885
N-(4-phenanthren-9-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776770
N-(4-naphthalen-1-ylphenyl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167127303
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 171754709
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine (CID 171755327) is N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine is c1ccc(-c2nc3ccc(-c4c5ccccc5cc5oc6c(-c7ccc(N(c8ccccc8)c8ccc9c(c8)oc8ccccc89)cc7)cccc6c45)cc3o2)cc1.
What is the InChIKey of N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is QLAKEUGMNUGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O3/c1-3-12-34(13-4-1)53-54-45-29-24-36(31-48(45)58-53)50-40-17-8-7-14-35(40)30-49-51(50)44-20-11-19-41(52(44)57-49)33-22-25-38(26-23-33)55(37-15-5-2-6-16-37)39-27-28-43-42-18-9-10-21-46(42)56-47(43)32-39/h1-32H.
What are the key properties of N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine?
N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 744.85 g/mol, XLogP of 15.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 171755327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).