N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine

C47H30N2O2 — CID 170395135

IUPACN-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-10-31(11-4-1)33-20-24-38(25-21-33)49(39-26-22-34(23-27-39)37-19-18-32-12-7-8-15-36(32)30-37)41-17-9-16-40-44-42(50-46(40)41)28-29-43-45(44)48-47(51-43)35-13-5-2-6-14-35/h1-30H
InChIKeyNKKOVLWAAISLCF-UHFFFAOYSA-N
MW654.77 g/mol
LogP13.35
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine

N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine (PubChem CID 170395135) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
PubChem CID170395135
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC NameN-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-10-31(11-4-1)33-20-24-38(25-21-33)49(39-26-22-34(23-27-39)37-19-18-32-12-7-8-15-36(32)30-37)41-17-9-16-40-44-42(50-46(40)41)28-29-43-45(44)48-47(51-43)35-13-5-2-6-14-35/h1-30H
InChIKeyNKKOVLWAAISLCF-UHFFFAOYSA-N
XLogP13.35
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167124876
N-(4-naphthalen-2-ylphenyl)-N,3-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177131034
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine
CID 170424938
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
CID 171724750
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 170424937
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
N-naphthalen-2-yl-N,16-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050314
N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177130990

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine (CID 170395135) is N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine?
The InChIKey is NKKOVLWAAISLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-3-10-31(11-4-1)33-20-24-38(25-21-33)49(39-26-22-34(23-27-39)37-19-18-32-12-7-8-15-36(32)30-37)41-17-9-16-40-44-42(50-46(40)41)28-29-43-45(44)48-47(51-43)35-13-5-2-6-14-35/h1-30H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine?
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine has a molecular weight of 654.77 g/mol, XLogP of 13.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine is sourced from PubChem (CID 170395135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).