4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline

C64H40N6S4 — CID 59707533

IUPAC4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
SMILESc1ccc2sc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7nc8ccccc8s7)cc6)c6ccc(-c7nc8ccccc8s7)cc6)cc5)cc4)c4ccc(-c5nc6ccccc6s5)cc4)cc3)nc2c1
InChIInChI=1S/C64H40N6S4/c1-5-13-57-53(9-1)65-61(71-57)43-21-33-49(34-22-43)69(50-35-23-44(24-36-50)62-66-54-10-2-6-14-58(54)72-62)47-29-17-41(18-30-47)42-19-31-48(32-20-42)70(51-37-25-45(26-38-51)63-67-55-11-3-7-15-59(55)73-63)52-39-27-46(28-40-52)64-68-56-12-4-8-16-60(56)74-64/h1-40H
InChIKeyWOCHQPCQQKFISV-UHFFFAOYSA-N
MW1021.33 g/mol
LogP19.40
Rot. Bonds11

About 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline

4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline (PubChem CID 59707533) has the molecular formula C64H40N6S4 and a molecular weight of 1021.33 g/mol. Its IUPAC name is 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
PubChem CID59707533
Molecular FormulaC64H40N6S4
Molecular Weight1021.33 g/mol
Exact Mass1020.22
IUPAC Name4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
SMILESc1ccc2sc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7nc8ccccc8s7)cc6)c6ccc(-c7nc8ccccc8s7)cc6)cc5)cc4)c4ccc(-c5nc6ccccc6s5)cc4)cc3)nc2c1
InChIInChI=1S/C64H40N6S4/c1-5-13-57-53(9-1)65-61(71-57)43-21-33-49(34-22-43)69(50-35-23-44(24-36-50)62-66-54-10-2-6-14-58(54)72-62)47-29-17-41(18-30-47)42-19-31-48(32-20-42)70(51-37-25-45(26-38-51)63-67-55-11-3-7-15-59(55)73-63)52-39-27-46(28-40-52)64-68-56-12-4-8-16-60(56)74-64/h1-40H
InChIKeyWOCHQPCQQKFISV-UHFFFAOYSA-N
XLogP19.40
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.33
LogP ≤ 519.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]-1,3-benzothiazol-6-amine
CID 159040137
N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59707513
4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 176651579
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 174247496
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylanthracen-2-amine
CID 165150257
N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158722839
2-N,7-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-2-N,7-N-dinaphthalen-2-ylphenanthrene-2,7-diamine
CID 170266652
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]benzo[g]quinolin-2-amine
CID 165150298
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline?
The IUPAC name of 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline (CID 59707533) is 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline.
What is the SMILES notation for 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline?
The canonical SMILES for 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline is c1ccc2sc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7nc8ccccc8s7)cc6)c6ccc(-c7nc8ccccc8s7)cc6)cc5)cc4)c4ccc(-c5nc6ccccc6s5)cc4)cc3)nc2c1.
What is the InChIKey of 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline?
The InChIKey is WOCHQPCQQKFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6S4/c1-5-13-57-53(9-1)65-61(71-57)43-21-33-49(34-22-43)69(50-35-23-44(24-36-50)62-66-54-10-2-6-14-58(54)72-62)47-29-17-41(18-30-47)42-19-31-48(32-20-42)70(51-37-25-45(26-38-51)63-67-55-11-3-7-15-59(55)73-63)52-39-27-46(28-40-52)64-68-56-12-4-8-16-60(56)74-64/h1-40H.
What are the key properties of 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline?
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline has a molecular weight of 1021.33 g/mol, XLogP of 19.40, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline is sourced from PubChem (CID 59707533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).