4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline

C87H59N9O3S — CID 164957438

IUPAC4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline
SMILESc1ccc(-c2cc(Nc3cccc(-n4nc5ccc(-c6cccc7c6sc6ccccc67)cc5n4)c3)cc(-c3ccccc3)c2)cc1.c1ccc(Nc2ccc(-c3ccc4ncoc4c3)cc2)cc1.c1ccc2oc(-c3ccc(Nc4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1
InChIInChI=1S/C42H28N4S.C26H17N3O2.C19H14N2O/c1-3-11-28(12-4-1)31-23-32(29-13-5-2-6-14-29)25-34(24-31)43-33-15-9-16-35(27-33)46-44-39-22-21-30(26-40(39)45-46)36-18-10-19-38-37-17-7-8-20-41(37)47-42(36)38;1-3-7-23-21(5-1)28-25(30-23)17-9-13-19(14-10-17)27-20-15-11-18(12-16-20)26-29-22-6-2-4-8-24(22)31-26;1-2-4-16(5-3-1)21-17-9-6-14(7-10-17)15-8-11-18-19(12-15)22-13-20-18/h1-27,43H;1-16,27H;1-13,21H
InChIKeyBJCPKHYFQFTMNF-UHFFFAOYSA-N
MW1310.56 g/mol
LogP23.82
Rot. Bonds13

About 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline

4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline (PubChem CID 164957438) has the molecular formula C87H59N9O3S and a molecular weight of 1310.56 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline
PubChem CID164957438
Molecular FormulaC87H59N9O3S
Molecular Weight1310.56 g/mol
Exact Mass1309.45
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline
SMILESc1ccc(-c2cc(Nc3cccc(-n4nc5ccc(-c6cccc7c6sc6ccccc67)cc5n4)c3)cc(-c3ccccc3)c2)cc1.c1ccc(Nc2ccc(-c3ccc4ncoc4c3)cc2)cc1.c1ccc2oc(-c3ccc(Nc4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1
InChIInChI=1S/C42H28N4S.C26H17N3O2.C19H14N2O/c1-3-11-28(12-4-1)31-23-32(29-13-5-2-6-14-29)25-34(24-31)43-33-15-9-16-35(27-33)46-44-39-22-21-30(26-40(39)45-46)36-18-10-19-38-37-17-7-8-20-41(37)47-42(36)38;1-3-7-23-21(5-1)28-25(30-23)17-9-13-19(14-10-17)27-20-15-11-18(12-16-20)26-29-22-6-2-4-8-24(22)31-26;1-2-4-16(5-3-1)21-17-9-6-14(7-10-17)15-8-11-18-19(12-15)22-13-20-18/h1-27,43H;1-16,27H;1-13,21H
InChIKeyBJCPKHYFQFTMNF-UHFFFAOYSA-N
XLogP23.82
TPSA144.89 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001310.56
LogP ≤ 523.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(3-Dibenzothiophen-2-ylphenyl)-7-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-1-yl]-2-phenyl-[1,3]oxazolo[5,4-a]carbazole
CID 117863731
9-(3-Dibenzothiophen-2-ylphenyl)-6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-1-yl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole
CID 117863733
7-[9-(3-Dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,10-diphenyl-[1,3]oxazolo[5,4-a]carbazole
CID 117863737
6-[9-(3-Dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]oxazolo[4,5-b]carbazole
CID 117863748
6-[9-(3-Dibenzothiophen-2-ylphenyl)carbazol-1-yl]-2,9-diphenyl-[1,3]oxazolo[4,5-b]carbazole
CID 117863756
7-[9-(3-Dibenzothiophen-2-ylphenyl)carbazol-1-yl]-2,10-diphenyl-[1,3]oxazolo[5,4-a]carbazole
CID 117863804
9-(3-Dibenzothiophen-2-ylphenyl)-6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole
CID 117863810
10-(3-Dibenzothiophen-2-ylphenyl)-7-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2-phenyl-[1,3]oxazolo[5,4-a]carbazole
CID 117863900
2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole
CID 140998492
4-[2-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-5-(1H-indazol-3-yl)-1,3-benzoxazol-6-yl]-2,1,3-benzoxadiazole
CID 141107369
N-[[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]methyl]-N-[3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)-3-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]phenyl]dibenzothiophen-2-amine
CID 146650609
N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine
CID 146650637

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline (CID 164957438) is 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline is c1ccc(-c2cc(Nc3cccc(-n4nc5ccc(-c6cccc7c6sc6ccccc67)cc5n4)c3)cc(-c3ccccc3)c2)cc1.c1ccc(Nc2ccc(-c3ccc4ncoc4c3)cc2)cc1.c1ccc2oc(-c3ccc(Nc4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline?
The InChIKey is BJCPKHYFQFTMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4S.C26H17N3O2.C19H14N2O/c1-3-11-28(12-4-1)31-23-32(29-13-5-2-6-14-29)25-34(24-31)43-33-15-9-16-35(27-33)46-44-39-22-21-30(26-40(39)45-46)36-18-10-19-38-37-17-7-8-20-41(37)47-42(36)38;1-3-7-23-21(5-1)28-25(30-23)17-9-13-19(14-10-17)27-20-15-11-18(12-16-20)26-29-22-6-2-4-8-24(22)31-26;1-2-4-16(5-3-1)21-17-9-6-14(7-10-17)15-8-11-18-19(12-15)22-13-20-18/h1-27,43H;1-16,27H;1-13,21H.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline?
4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline has a molecular weight of 1310.56 g/mol, XLogP of 23.82, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-6-yl)-N-phenylaniline;N-[3-(5-dibenzothiophen-4-ylbenzotriazol-2-yl)phenyl]-3,5-diphenylaniline is sourced from PubChem (CID 164957438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).