N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline

C178H118N20O2S2 — CID 161367621

IUPACN-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESc1cc(N(c2ccc(-c3ccc(N(c4cccc(-n5nc6ccccc6n5)c4)c4ccc5sc6ccccc6c5c4)cc3)cc2)c2ccc3sc4ccccc4c3c2)cc(-n2nc3ccccc3n2)c1.c1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)cc4)c3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.c1ccc2c(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7nc8ccccc8n7)cc6)c6cccc7ccccc67)cc5)cc4)cc3)c3ccc(-n4nc5ccccc5n4)cc3)cccc2c1
InChIInChI=1S/C62H42N8.C60H38N8S2.C56H38N4O2/c1-3-15-55-47(11-1)13-9-21-61(55)67(51-35-39-53(40-36-51)69-63-57-17-5-6-18-58(57)64-69)49-31-27-45(28-32-49)43-23-25-44(26-24-43)46-29-33-50(34-30-46)68(62-22-10-14-48-12-2-4-16-56(48)62)52-37-41-54(42-38-52)70-65-59-19-7-8-20-60(59)66-70;1-7-21-57-49(15-1)51-37-45(31-33-59(51)69-57)65(43-11-9-13-47(35-43)67-61-53-17-3-4-18-54(53)62-67)41-27-23-39(24-28-41)40-25-29-42(30-26-40)66(46-32-34-60-52(38-46)50-16-2-8-22-58(50)70-60)44-12-10-14-48(36-44)68-63-55-19-5-6-20-56(55)64-68;1-3-14-45(15-4-1)59(49-34-26-41(27-35-49)55-57-51-18-7-9-20-53(51)61-55)47-30-22-39(23-31-47)43-12-11-13-44(38-43)40-24-32-48(33-25-40)60(46-16-5-2-6-17-46)50-36-28-42(29-37-50)56-58-52-19-8-10-21-54(52)62-56/h1-42H;1-38H;1-38H
InChIKeyVQAGTQKIOPODMH-UHFFFAOYSA-N
MW2633.17 g/mol
LogP47.81
Rot. Bonds29

About N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline

N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 161367621) has the molecular formula C178H118N20O2S2 and a molecular weight of 2633.17 g/mol. Its IUPAC name is N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID161367621
Molecular FormulaC178H118N20O2S2
Molecular Weight2633.17 g/mol
Exact Mass2630.92
IUPAC NameN-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESc1cc(N(c2ccc(-c3ccc(N(c4cccc(-n5nc6ccccc6n5)c4)c4ccc5sc6ccccc6c5c4)cc3)cc2)c2ccc3sc4ccccc4c3c2)cc(-n2nc3ccccc3n2)c1.c1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)cc4)c3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.c1ccc2c(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7nc8ccccc8n7)cc6)c6cccc7ccccc67)cc5)cc4)cc3)c3ccc(-n4nc5ccccc5n4)cc3)cccc2c1
InChIInChI=1S/C62H42N8.C60H38N8S2.C56H38N4O2/c1-3-15-55-47(11-1)13-9-21-61(55)67(51-35-39-53(40-36-51)69-63-57-17-5-6-18-58(57)64-69)49-31-27-45(28-32-49)43-23-25-44(26-24-43)46-29-33-50(34-30-46)68(62-22-10-14-48-12-2-4-16-56(48)62)52-37-41-54(42-38-52)70-65-59-19-7-8-20-60(59)66-70;1-7-21-57-49(15-1)51-37-45(31-33-59(51)69-57)65(43-11-9-13-47(35-43)67-61-53-17-3-4-18-54(53)62-67)41-27-23-39(24-28-41)40-25-29-42(30-26-40)66(46-32-34-60-52(38-46)50-16-2-8-22-58(50)70-60)44-12-10-14-48(36-44)68-63-55-19-5-6-20-56(55)64-68;1-3-14-45(15-4-1)59(49-34-26-41(27-35-49)55-57-51-18-7-9-20-53(51)61-55)47-30-22-39(23-31-47)43-12-11-13-44(38-43)40-24-32-48(33-25-40)60(46-16-5-2-6-17-46)50-36-28-42(29-37-50)56-58-52-19-8-10-21-54(52)62-56/h1-42H;1-38H;1-38H
InChIKeyVQAGTQKIOPODMH-UHFFFAOYSA-N
XLogP47.81
TPSA194.34 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002633.17
LogP ≤ 547.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline with MolForge

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Related Compounds

N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-naphthalen-1-ylnaphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-naphthalen-2-ylnaphthalen-2-amine
CID 167572337
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzothiophen-2-yl-2-N,7-N-bis(4-fluorophenyl)phenanthrene-2,7-diamine
CID 170266865
3-(9-Dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
CID 90321576
1-(9-Dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
CID 90321758
9-Dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348739
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline (CID 161367621) is N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline is c1cc(N(c2ccc(-c3ccc(N(c4cccc(-n5nc6ccccc6n5)c4)c4ccc5sc6ccccc6c5c4)cc3)cc2)c2ccc3sc4ccccc4c3c2)cc(-n2nc3ccccc3n2)c1.c1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)cc4)c3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.c1ccc2c(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7nc8ccccc8n7)cc6)c6cccc7ccccc67)cc5)cc4)cc3)c3ccc(-n4nc5ccccc5n4)cc3)cccc2c1.
What is the InChIKey of N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is VQAGTQKIOPODMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N8.C60H38N8S2.C56H38N4O2/c1-3-15-55-47(11-1)13-9-21-61(55)67(51-35-39-53(40-36-51)69-63-57-17-5-6-18-58(57)64-69)49-31-27-45(28-32-49)43-23-25-44(26-24-43)46-29-33-50(34-30-46)68(62-22-10-14-48-12-2-4-16-56(48)62)52-37-41-54(42-38-52)70-65-59-19-7-8-20-60(59)66-70;1-7-21-57-49(15-1)51-37-45(31-33-59(51)69-57)65(43-11-9-13-47(35-43)67-61-53-17-3-4-18-54(53)62-67)41-27-23-39(24-28-41)40-25-29-42(30-26-40)66(46-32-34-60-52(38-46)50-16-2-8-22-58(50)70-60)44-12-10-14-48(36-44)68-63-55-19-5-6-20-56(55)64-68;1-3-14-45(15-4-1)59(49-34-26-41(27-35-49)55-57-51-18-7-9-20-53(51)61-55)47-30-22-39(23-31-47)43-12-11-13-44(38-43)40-24-32-48(33-25-40)60(46-16-5-2-6-17-46)50-36-28-42(29-37-50)56-58-52-19-8-10-21-54(52)62-56/h1-42H;1-38H;1-38H.
What are the key properties of N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 2633.17 g/mol, XLogP of 47.81, 29 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 161367621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).