5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole

C58H39NO — CID 171410341

IUPAC5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole
SMILESc1ccc(-c2cccc(C(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3cccc(-c4cc5oc(-c6ccccc6)nc5c5ccccc45)c3)c2)cc1
InChIInChI=1S/C58H39NO/c1-3-17-39(18-4-1)42-23-13-27-46(35-42)56(47-28-15-25-44(37-47)49-34-16-22-40-19-7-8-29-48(40)49)52-32-11-9-30-50(52)43-24-14-26-45(36-43)54-38-55-57(53-33-12-10-31-51(53)54)59-58(60-55)41-20-5-2-6-21-41/h1-38,56H
InChIKeyKTTZBNNFYUGJPO-UHFFFAOYSA-N
MW765.96 g/mol
LogP15.65
Rot. Bonds8

About 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole

5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole (PubChem CID 171410341) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole.

Molecular Properties

Compound Name5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole
PubChem CID171410341
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC Name5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole
SMILESc1ccc(-c2cccc(C(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3cccc(-c4cc5oc(-c6ccccc6)nc5c5ccccc45)c3)c2)cc1
InChIInChI=1S/C58H39NO/c1-3-17-39(18-4-1)42-23-13-27-46(35-42)56(47-28-15-25-44(37-47)49-34-16-22-40-19-7-8-29-48(40)49)52-32-11-9-30-50(52)43-24-14-26-45(36-43)54-38-55-57(53-33-12-10-31-51(53)54)59-58(60-55)41-20-5-2-6-21-41/h1-38,56H
InChIKeyKTTZBNNFYUGJPO-UHFFFAOYSA-N
XLogP15.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine
CID 171410556
4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136983
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
CID 153310365
5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 171410602
10-[3-[naphtho[1,2-b][1]benzofuran-8-yl-(2-phenylphenyl)methyl]-5-phenylphenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 176877833
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 167125131
4,6-bis(4-naphthalen-1-ylphenyl)-2-[3-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 137473226
1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran
CID 135295808
6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
CID 153310394
6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole
CID 137473418
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167127574

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole?
The IUPAC name of 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole (CID 171410341) is 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole.
What is the SMILES notation for 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole?
The canonical SMILES for 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole is c1ccc(-c2cccc(C(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3cccc(-c4cc5oc(-c6ccccc6)nc5c5ccccc45)c3)c2)cc1.
What is the InChIKey of 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole?
The InChIKey is KTTZBNNFYUGJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-3-17-39(18-4-1)42-23-13-27-46(35-42)56(47-28-15-25-44(37-47)49-34-16-22-40-19-7-8-29-48(40)49)52-32-11-9-30-50(52)43-24-14-26-45(36-43)54-38-55-57(53-33-12-10-31-51(53)54)59-58(60-55)41-20-5-2-6-21-41/h1-38,56H.
What are the key properties of 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole?
5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole has a molecular weight of 765.96 g/mol, XLogP of 15.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole is sourced from PubChem (CID 171410341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).