N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline

C149H98N6O2S — CID 159412257

IUPACN,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3nc4c(ccc5ccc6cc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)cc7)ccc6c54)s3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6ccc7oc(-c8ccccc8)nc7c6c5c4)cc3)cc2)cc1.c1ccc(-c2nc3c(ccc4ccc5ccc(-c6ccc(N(c7ccc8ccccc8c7)c7cccc8ccccc78)cc6)cc5c43)o2)cc1
InChIInChI=1S/C57H38N2S.C47H30N2O.C45H30N2O/c1-4-10-39(11-5-1)42-16-19-47(20-17-42)57-58-56-54(60-57)37-29-46-18-21-49-38-48(28-36-53(49)55(46)56)45-26-34-52(35-27-45)59(50-30-22-43(23-31-50)40-12-6-2-7-13-40)51-32-24-44(25-33-51)41-14-8-3-9-15-41;1-2-11-36(12-3-1)47-48-46-44(50-47)28-24-35-19-17-34-18-20-38(30-42(34)45(35)46)32-21-25-39(26-22-32)49(40-27-23-31-9-4-5-13-37(31)29-40)43-16-8-14-33-10-6-7-15-41(33)43;1-4-10-31(11-5-1)32-20-25-39(26-21-32)47(38-14-8-3-9-15-38)40-27-22-33(23-28-40)37-19-17-34-16-18-35-24-29-42-44(43(35)41(34)30-37)46-45(48-42)36-12-6-2-7-13-36/h1-38H;1-30H;1-30H
InChIKeyLOSIPJULFBQGLE-UHFFFAOYSA-N
MW2036.53 g/mol
LogP42.26
Rot. Bonds19

About N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline

N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline (PubChem CID 159412257) has the molecular formula C149H98N6O2S and a molecular weight of 2036.53 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline
PubChem CID159412257
Molecular FormulaC149H98N6O2S
Molecular Weight2036.53 g/mol
Exact Mass2034.75
IUPAC NameN,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3nc4c(ccc5ccc6cc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)cc7)ccc6c54)s3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6ccc7oc(-c8ccccc8)nc7c6c5c4)cc3)cc2)cc1.c1ccc(-c2nc3c(ccc4ccc5ccc(-c6ccc(N(c7ccc8ccccc8c7)c7cccc8ccccc78)cc6)cc5c43)o2)cc1
InChIInChI=1S/C57H38N2S.C47H30N2O.C45H30N2O/c1-4-10-39(11-5-1)42-16-19-47(20-17-42)57-58-56-54(60-57)37-29-46-18-21-49-38-48(28-36-53(49)55(46)56)45-26-34-52(35-27-45)59(50-30-22-43(23-31-50)40-12-6-2-7-13-40)51-32-24-44(25-33-51)41-14-8-3-9-15-41;1-2-11-36(12-3-1)47-48-46-44(50-47)28-24-35-19-17-34-18-20-38(30-42(34)45(35)46)32-21-25-39(26-22-32)49(40-27-23-31-9-4-5-13-37(31)29-40)43-16-8-14-33-10-6-7-15-41(33)43;1-4-10-31(11-5-1)32-20-25-39(26-21-32)47(38-14-8-3-9-15-38)40-27-22-33(23-28-40)37-19-17-34-16-18-35-24-29-42-44(43(35)41(34)30-37)46-45(48-42)36-12-6-2-7-13-36/h1-38H;1-30H;1-30H
InChIKeyLOSIPJULFBQGLE-UHFFFAOYSA-N
XLogP42.26
TPSA74.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002036.53
LogP ≤ 542.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline with MolForge

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Related Compounds

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole
CID 160875323
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167123743
N-(3-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-9-amine
CID 174319290
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine
CID 167124268
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119498
N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
CID 171724750
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
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)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 170395135
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-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
N-naphthalen-1-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112477

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline (CID 159412257) is N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline is c1ccc(-c2ccc(-c3nc4c(ccc5ccc6cc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)cc7)ccc6c54)s3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6ccc7oc(-c8ccccc8)nc7c6c5c4)cc3)cc2)cc1.c1ccc(-c2nc3c(ccc4ccc5ccc(-c6ccc(N(c7ccc8ccccc8c7)c7cccc8ccccc78)cc6)cc5c43)o2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline?
The InChIKey is LOSIPJULFBQGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2S.C47H30N2O.C45H30N2O/c1-4-10-39(11-5-1)42-16-19-47(20-17-42)57-58-56-54(60-57)37-29-46-18-21-49-38-48(28-36-53(49)55(46)56)45-26-34-52(35-27-45)59(50-30-22-43(23-31-50)40-12-6-2-7-13-40)51-32-24-44(25-33-51)41-14-8-3-9-15-41;1-2-11-36(12-3-1)47-48-46-44(50-47)28-24-35-19-17-34-18-20-38(30-42(34)45(35)46)32-21-25-39(26-22-32)49(40-27-23-31-9-4-5-13-37(31)29-40)43-16-8-14-33-10-6-7-15-41(33)43;1-4-10-31(11-5-1)32-20-25-39(26-21-32)47(38-14-8-3-9-15-38)40-27-22-33(23-28-40)37-19-17-34-16-18-35-24-29-42-44(43(35)41(34)30-37)46-45(48-42)36-12-6-2-7-13-36/h1-38H;1-30H;1-30H.
What are the key properties of N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline?
N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline has a molecular weight of 2036.53 g/mol, XLogP of 42.26, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline is sourced from PubChem (CID 159412257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).