N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine

C53H32N2O3 — CID 171754479

IUPACN-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2nc3cccc(-c4cccc5oc6c7ccccc7c(-c7ccc(N(c8ccccc8)c8ccc9oc%10ccccc%10c9c8)cc7)cc6c45)c3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-13-34(14-4-1)53-54-46-22-11-21-42(52(46)58-53)40-20-12-24-49-50(40)45-32-43(38-17-7-8-19-41(38)51(45)57-49)33-25-27-36(28-26-33)55(35-15-5-2-6-16-35)37-29-30-48-44(31-37)39-18-9-10-23-47(39)56-48/h1-32H
InChIKeyHWTFBDVNWPGVBS-UHFFFAOYSA-N
MW744.85 g/mol
LogP15.25
Rot. Bonds6

About N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine

N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine (PubChem CID 171754479) has the molecular formula C53H32N2O3 and a molecular weight of 744.85 g/mol. Its IUPAC name is N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine
PubChem CID171754479
Molecular FormulaC53H32N2O3
Molecular Weight744.85 g/mol
Exact Mass744.24
IUPAC NameN-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2nc3cccc(-c4cccc5oc6c7ccccc7c(-c7ccc(N(c8ccccc8)c8ccc9oc%10ccccc%10c9c8)cc7)cc6c45)c3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-13-34(14-4-1)53-54-46-22-11-21-42(52(46)58-53)40-20-12-24-49-50(40)45-32-43(38-17-7-8-19-41(38)51(45)57-49)33-25-27-36(28-26-33)55(35-15-5-2-6-16-35)37-29-30-48-44(31-37)39-18-9-10-23-47(39)56-48/h1-32H
InChIKeyHWTFBDVNWPGVBS-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-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-yl)phenyl]dibenzofuran-2-amine
CID 176631721
N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline
CID 171755293
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-2-amine
CID 167127808
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
CID 170776922
1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754408
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-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 171754798
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
2-[3-[N-dibenzofuran-2-yl-4-(2-phenylphenyl)anilino]phenyl]-N,N-diphenylphenanthro[10,9-d][1,3]oxazol-6-amine
CID 171747477
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124553

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine (CID 171754479) is N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine is c1ccc(-c2nc3cccc(-c4cccc5oc6c7ccccc7c(-c7ccc(N(c8ccccc8)c8ccc9oc%10ccccc%10c9c8)cc7)cc6c45)c3o2)cc1.
What is the InChIKey of N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine?
The InChIKey is HWTFBDVNWPGVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O3/c1-3-13-34(14-4-1)53-54-46-22-11-21-42(52(46)58-53)40-20-12-24-49-50(40)45-32-43(38-17-7-8-19-41(38)51(45)57-49)33-25-27-36(28-26-33)55(35-15-5-2-6-16-35)37-29-30-48-44(31-37)39-18-9-10-23-47(39)56-48/h1-32H.
What are the key properties of N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine?
N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-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-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 171754479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).