5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine

C57H38N2O — CID 171410533

IUPAC5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(-c5cc6ccccc6c6nc(-c7ccccc7)oc56)cccc4c3)cc2)cc1
InChIInChI=1S/C57H38N2O/c1-4-14-39(15-5-1)41-26-30-48(31-27-41)59(49-32-28-42(29-33-49)45-22-12-21-44(36-45)40-16-6-2-7-17-40)50-34-35-51-46(37-50)23-13-25-53(51)54-38-47-20-10-11-24-52(47)55-56(54)60-57(58-55)43-18-8-3-9-19-43/h1-38H
InChIKeyHFNFDUKDICHFEC-UHFFFAOYSA-N
MW766.94 g/mol
LogP15.94
Rot. Bonds8

About 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine

5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 171410533) has the molecular formula C57H38N2O and a molecular weight of 766.94 g/mol. Its IUPAC name is 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID171410533
Molecular FormulaC57H38N2O
Molecular Weight766.94 g/mol
Exact Mass766.30
IUPAC Name5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(-c5cc6ccccc6c6nc(-c7ccccc7)oc56)cccc4c3)cc2)cc1
InChIInChI=1S/C57H38N2O/c1-4-14-39(15-5-1)41-26-30-48(31-27-41)59(49-32-28-42(29-33-49)45-22-12-21-44(36-45)40-16-6-2-7-17-40)50-34-35-51-46(37-50)23-13-25-53(51)54-38-47-20-10-11-24-52(47)55-56(54)60-57(58-55)43-18-8-3-9-19-43/h1-38H
InChIKeyHFNFDUKDICHFEC-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-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine
CID 171410299
N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747683
N,2-diphenyl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112677
N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine
CID 171747533
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631252
N-phenyl-N-[4-(8-phenyl-7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-13-yl)phenyl]phenanthren-2-amine
CID 177089746
N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline
CID 171410300
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
CID 176785756
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155473984

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine (CID 171410533) is 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(-c5cc6ccccc6c6nc(-c7ccccc7)oc56)cccc4c3)cc2)cc1.
What is the InChIKey of 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is HFNFDUKDICHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-4-14-39(15-5-1)41-26-30-48(31-27-41)59(49-32-28-42(29-33-49)45-22-12-21-44(36-45)40-16-6-2-7-17-40)50-34-35-51-46(37-50)23-13-25-53(51)54-38-47-20-10-11-24-52(47)55-56(54)60-57(58-55)43-18-8-3-9-19-43/h1-38H.
What are the key properties of 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-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 5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 171410533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).