N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline

C51H32N2O2S — CID 170716754

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline
SMILESc1ccc2cc(-c3nc4ccc(-c5ccc(N(c6ccc(-c7cc8ccccc8o7)cc6)c6ccc(-c7cc8ccccc8s7)cc6)cc5)cc4o3)ccc2c1
InChIInChI=1S/C51H32N2O2S/c1-2-8-37-29-41(14-13-33(37)7-1)51-52-45-28-21-38(30-48(45)55-51)34-15-22-42(23-16-34)53(43-24-17-35(18-25-43)47-31-39-9-3-5-11-46(39)54-47)44-26-19-36(20-27-44)50-32-40-10-4-6-12-49(40)56-50/h1-32H
InChIKeyVWNZTBWCLISMRK-UHFFFAOYSA-N
MW736.90 g/mol
LogP15.08
Rot. Bonds7

About N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline

N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline (PubChem CID 170716754) has the molecular formula C51H32N2O2S and a molecular weight of 736.90 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline
PubChem CID170716754
Molecular FormulaC51H32N2O2S
Molecular Weight736.90 g/mol
Exact Mass736.22
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline
SMILESc1ccc2cc(-c3nc4ccc(-c5ccc(N(c6ccc(-c7cc8ccccc8o7)cc6)c6ccc(-c7cc8ccccc8s7)cc6)cc5)cc4o3)ccc2c1
InChIInChI=1S/C51H32N2O2S/c1-2-8-37-29-41(14-13-33(37)7-1)51-52-45-28-21-38(30-48(45)55-51)34-15-22-42(23-16-34)53(43-24-17-35(18-25-43)47-31-39-9-3-5-11-46(39)54-47)44-26-19-36(20-27-44)50-32-40-10-4-6-12-49(40)56-50/h1-32H
InChIKeyVWNZTBWCLISMRK-UHFFFAOYSA-N
XLogP15.08
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.90
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 165046109
N-[4-(1-benzothiophen-2-yl)phenyl]-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 164744723
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-N-phenylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165048376
N-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 164744498
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline (CID 170716754) is N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline is c1ccc2cc(-c3nc4ccc(-c5ccc(N(c6ccc(-c7cc8ccccc8o7)cc6)c6ccc(-c7cc8ccccc8s7)cc6)cc5)cc4o3)ccc2c1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline?
The InChIKey is VWNZTBWCLISMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2S/c1-2-8-37-29-41(14-13-33(37)7-1)51-52-45-28-21-38(30-48(45)55-51)34-15-22-42(23-16-34)53(43-24-17-35(18-25-43)47-31-39-9-3-5-11-46(39)54-47)44-26-19-36(20-27-44)50-32-40-10-4-6-12-49(40)56-50/h1-32H.
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline?
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline has a molecular weight of 736.90 g/mol, XLogP of 15.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline is sourced from PubChem (CID 170716754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).