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

C41H26N2O2 — CID 171754383

IUPAC2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4cc4oc5ccc(-c6nc7ccccc7o6)cc5c34)cc2)cc1
InChIInChI=1S/C41H26N2O2/c1-3-11-27(12-4-1)28-19-22-32(23-20-28)43(31-14-5-2-6-15-31)40-33-16-8-7-13-29(33)26-38-39(40)34-25-30(21-24-36(34)44-38)41-42-35-17-9-10-18-37(35)45-41/h1-26H
InChIKeyXYKWUKBZKPWUHV-UHFFFAOYSA-N
MW578.67 g/mol
LogP11.68
Rot. Bonds5

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

2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine (PubChem CID 171754383) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine
PubChem CID171754383
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC Name2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4cc4oc5ccc(-c6nc7ccccc7o6)cc5c34)cc2)cc1
InChIInChI=1S/C41H26N2O2/c1-3-11-27(12-4-1)28-19-22-32(23-20-28)43(31-14-5-2-6-15-31)40-33-16-8-7-13-29(33)26-38-39(40)34-25-30(21-24-36(34)44-38)41-42-35-17-9-10-18-37(35)45-41/h1-26H
InChIKeyXYKWUKBZKPWUHV-UHFFFAOYSA-N
XLogP11.68
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754352
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 171736391
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
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[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 175613470
N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 171755363
11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine
CID 171754506

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine (CID 171754383) is 2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine is c1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4cc4oc5ccc(-c6nc7ccccc7o6)cc5c34)cc2)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine?
The InChIKey is XYKWUKBZKPWUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c1-3-11-27(12-4-1)28-19-22-32(23-20-28)43(31-14-5-2-6-15-31)40-33-16-8-7-13-29(33)26-38-39(40)34-25-30(21-24-36(34)44-38)41-42-35-17-9-10-18-37(35)45-41/h1-26H.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine?
2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine has a molecular weight of 578.67 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine is sourced from PubChem (CID 171754383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).