6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

C53H34N2O2 — CID 171754709

IUPAC6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3c(-c5cccc6nc(-c7ccccc7)oc56)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-13-35(14-5-1)37-23-27-41(28-24-37)55(42-29-25-38(26-30-42)36-15-6-2-7-16-36)43-31-32-45-47-33-40-19-10-11-20-44(40)50(52(47)56-49(45)34-43)46-21-12-22-48-51(46)57-53(54-48)39-17-8-3-9-18-39/h1-34H
InChIKeyIGQNSLRLJWLXKL-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

About 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 171754709) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID171754709
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC Name6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3c(-c5cccc6nc(-c7ccccc7)oc56)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-13-35(14-5-1)37-23-27-41(28-24-37)55(42-29-25-38(26-30-42)36-15-6-2-7-16-36)43-31-32-45-47-33-40-19-10-11-20-44(40)50(52(47)56-49(45)34-43)46-21-12-22-48-51(46)57-53(54-48)39-17-8-3-9-18-39/h1-34H
InChIKeyIGQNSLRLJWLXKL-UHFFFAOYSA-N
XLogP15.02
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine with MolForge

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Related Compounds

6-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296391
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-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296238
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123885
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
CID 169295916
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167129252
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,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (CID 171754709) is 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3c(-c5cccc6nc(-c7ccccc7)oc56)c5ccccc5cc34)cc2)cc1.
What is the InChIKey of 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is IGQNSLRLJWLXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-4-13-35(14-5-1)37-23-27-41(28-24-37)55(42-29-25-38(26-30-42)36-15-6-2-7-16-36)43-31-32-45-47-33-40-19-10-11-20-44(40)50(52(47)56-49(45)34-43)46-21-12-22-48-51(46)57-53(54-48)39-17-8-3-9-18-39/h1-34H.
What are the key properties of 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 730.87 g/mol, XLogP of 15.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 171754709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).