N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C51H32N2O2 — CID 171754558

IUPACN-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4oc5c6ccccc6cc(-c6ccc7oc(-c8ccccc8)nc7c6)c5c4c3)cc2)cc1
InChIInChI=1S/C51H32N2O2/c1-3-11-33(12-4-1)35-19-23-40(24-20-35)53(41-25-21-34-13-7-8-16-37(34)29-41)42-26-28-47-45(32-42)49-44(30-38-17-9-10-18-43(38)50(49)54-47)39-22-27-48-46(31-39)52-51(55-48)36-14-5-2-6-15-36/h1-32H
InChIKeyGJSNKRAFCHGCOE-UHFFFAOYSA-N
MW704.83 g/mol
LogP14.50
Rot. Bonds6

About N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 171754558) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID171754558
Molecular FormulaC51H32N2O2
Molecular Weight704.83 g/mol
Exact Mass704.25
IUPAC NameN-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4oc5c6ccccc6cc(-c6ccc7oc(-c8ccccc8)nc7c6)c5c4c3)cc2)cc1
InChIInChI=1S/C51H32N2O2/c1-3-11-33(12-4-1)35-19-23-40(24-20-35)53(41-25-21-34-13-7-8-16-37(34)29-41)42-26-28-47-45(32-42)49-44(30-38-17-9-10-18-43(38)50(49)54-47)39-22-27-48-46(31-39)52-51(55-48)36-14-5-2-6-15-36/h1-32H
InChIKeyGJSNKRAFCHGCOE-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-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167339356
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline
CID 171754122
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
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-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167124652
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125
6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167339368
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128971
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167127103
6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167543413

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of 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) is N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4oc5c6ccccc6cc(-c6ccc7oc(-c8ccccc8)nc7c6)c5c4c3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is GJSNKRAFCHGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-3-11-33(12-4-1)35-19-23-40(24-20-35)53(41-25-21-34-13-7-8-16-37(34)29-41)42-26-28-47-45(32-42)49-44(30-38-17-9-10-18-43(38)50(49)54-47)39-22-27-48-46(31-39)52-51(55-48)36-14-5-2-6-15-36/h1-32H.
What are the key properties of N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-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-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 171754558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).