N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C51H32N2O2 — CID 171755363

IUPACN-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6cc(-c7nc8ccccc8o7)ccc6oc5c5ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C51H32N2O2/c1-2-10-33(11-3-1)35-18-24-39(25-19-35)53(41-28-20-34-12-4-5-13-37(34)30-41)40-26-21-36(22-27-40)44-32-46-45-31-38(51-52-47-16-8-9-17-49(47)55-51)23-29-48(45)54-50(46)43-15-7-6-14-42(43)44/h1-32H
InChIKeyHJBMOAWLRVPOIR-UHFFFAOYSA-N
MW704.83 g/mol
LogP14.50
Rot. Bonds6

About N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 171755363) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID171755363
Molecular FormulaC51H32N2O2
Molecular Weight704.83 g/mol
Exact Mass704.25
IUPAC NameN-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6cc(-c7nc8ccccc8o7)ccc6oc5c5ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C51H32N2O2/c1-2-10-33(11-3-1)35-18-24-39(25-19-35)53(41-28-20-34-12-4-5-13-37(34)30-41)40-26-21-36(22-27-40)44-32-46-45-31-38(51-52-47-16-8-9-17-49(47)55-51)23-29-48(45)54-50(46)43-15-7-6-14-42(43)44/h1-32H
InChIKeyHJBMOAWLRVPOIR-UHFFFAOYSA-N
XLogP14.50
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 171754798
N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859
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
N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167252565
N-[4-[5-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 171754887
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
8-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171755260
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171754558
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
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
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 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) is N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5c6cc(-c7nc8ccccc8o7)ccc6oc5c5ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is HJBMOAWLRVPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-2-10-33(11-3-1)35-18-24-39(25-19-35)53(41-28-20-34-12-4-5-13-37(34)30-41)40-26-21-36(22-27-40)44-32-46-45-31-38(51-52-47-16-8-9-17-49(47)55-51)23-29-48(45)54-50(46)43-15-7-6-14-42(43)44/h1-32H.
What are the key properties of N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 704.83 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 171755363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).