N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine

C57H38N2O — CID 170425008

IUPACN-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)c(-c6cccc7ccccc67)c5)c5ccccc5c4o3)cc2)cc1
InChIInChI=1S/C57H38N2O/c1-4-15-39(16-5-1)41-27-29-45(30-28-41)57-58-54-38-55(51-24-12-13-25-52(51)56(54)60-57)59(46-33-31-42(32-34-46)40-17-6-2-7-18-40)47-35-36-49(43-19-8-3-9-20-43)53(37-47)50-26-14-22-44-21-10-11-23-48(44)50/h1-38H
InChIKeyUBHULBIXBINUSR-UHFFFAOYSA-N
MW766.94 g/mol
LogP15.94
Rot. Bonds8

About N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine

N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine (PubChem CID 170425008) has the molecular formula C57H38N2O and a molecular weight of 766.94 g/mol. Its IUPAC name is N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine
PubChem CID170425008
Molecular FormulaC57H38N2O
Molecular Weight766.94 g/mol
Exact Mass766.30
IUPAC NameN-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)c(-c6cccc7ccccc67)c5)c5ccccc5c4o3)cc2)cc1
InChIInChI=1S/C57H38N2O/c1-4-15-39(16-5-1)41-27-29-45(30-28-41)57-58-54-38-55(51-24-12-13-25-52(51)56(54)60-57)59(46-33-31-42(32-34-46)40-17-6-2-7-18-40)47-35-36-49(43-19-8-3-9-20-43)53(37-47)50-26-14-22-44-21-10-11-23-48(44)50/h1-38H
InChIKeyUBHULBIXBINUSR-UHFFFAOYSA-N
XLogP15.94
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.94
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 171410589
N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline
CID 171410300
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-5-amine
CID 177119804
N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 164831588
N-(3,4-diphenylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]naphthalen-1-amine
CID 164832008
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzoxazol-5-amine
CID 171411809
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124926
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine
CID 167127715
N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine
CID 171410460
4-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 164831835
N-[3-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-8-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 171410352
9,9-dimethyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 170028240

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine?
The IUPAC name of N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine (CID 170425008) is N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine.
What is the SMILES notation for N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine?
The canonical SMILES for N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine is c1ccc(-c2ccc(-c3nc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)c(-c6cccc7ccccc67)c5)c5ccccc5c4o3)cc2)cc1.
What is the InChIKey of N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine?
The InChIKey is UBHULBIXBINUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-4-15-39(16-5-1)41-27-29-45(30-28-41)57-58-54-38-55(51-24-12-13-25-52(51)56(54)60-57)59(46-33-31-42(32-34-46)40-17-6-2-7-18-40)47-35-36-49(43-19-8-3-9-20-43)53(37-47)50-26-14-22-44-21-10-11-23-48(44)50/h1-38H.
What are the key properties of N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine?
N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine has a molecular weight of 766.94 g/mol, XLogP of 15.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine is sourced from PubChem (CID 170425008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).