N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline

C82H53N7OS3 — CID 21301880

IUPACN-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline
SMILESCOc1ccc(-n2c(-c3ccc(N(c4ccc(-c5c(-c6nc7ccccc7s6)c6ccccc6n5-c5ccccc5)cc4)c4ccc(-c5c(-c6nc7ccccc7s6)c6ccccc6n5-c5ccccc5)cc4)cc3)c(-c3nc4ccccc4s3)c3ccccc32)cc1
InChIInChI=1S/C82H53N7OS3/c1-90-61-50-48-60(49-51-61)89-70-32-16-10-26-64(70)76(82-85-67-29-13-19-35-73(67)93-82)79(89)54-40-46-59(47-41-54)86(57-42-36-52(37-43-57)77-74(80-83-65-27-11-17-33-71(65)91-80)62-24-8-14-30-68(62)87(77)55-20-4-2-5-21-55)58-44-38-53(39-45-58)78-75(81-84-66-28-12-18-34-72(66)92-81)63-25-9-15-31-69(63)88(78)56-22-6-3-7-23-56/h2-51H,1H3
InChIKeyCAZLDOVXQLNPKJ-UHFFFAOYSA-N
MW1248.58 g/mol
LogP22.83
Rot. Bonds13

About N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline

N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline (PubChem CID 21301880) has the molecular formula C82H53N7OS3 and a molecular weight of 1248.58 g/mol. Its IUPAC name is N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline
PubChem CID21301880
Molecular FormulaC82H53N7OS3
Molecular Weight1248.58 g/mol
Exact Mass1247.35
IUPAC NameN-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline
SMILESCOc1ccc(-n2c(-c3ccc(N(c4ccc(-c5c(-c6nc7ccccc7s6)c6ccccc6n5-c5ccccc5)cc4)c4ccc(-c5c(-c6nc7ccccc7s6)c6ccccc6n5-c5ccccc5)cc4)cc3)c(-c3nc4ccccc4s3)c3ccccc32)cc1
InChIInChI=1S/C82H53N7OS3/c1-90-61-50-48-60(49-51-61)89-70-32-16-10-26-64(70)76(82-85-67-29-13-19-35-73(67)93-82)79(89)54-40-46-59(47-41-54)86(57-42-36-52(37-43-57)77-74(80-83-65-27-11-17-33-71(65)91-80)62-24-8-14-30-68(62)87(77)55-20-4-2-5-21-55)58-44-38-53(39-45-58)78-75(81-84-66-28-12-18-34-72(66)92-81)63-25-9-15-31-69(63)88(78)56-22-6-3-7-23-56/h2-51H,1H3
InChIKeyCAZLDOVXQLNPKJ-UHFFFAOYSA-N
XLogP22.83
TPSA65.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.58
LogP ≤ 522.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline 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

6-Methoxy-2-[4-[2-methyl-5-(4-methylphenyl)pyrrol-1-yl]phenyl]-1,3-benzothiazole
CID 72190782
2-[4-[2-(4-Fluorophenyl)-5-methylpyrrol-1-yl]phenyl]-6-methoxy-1,3-benzothiazole
CID 72190783
6-Methoxy-2-[4-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]phenyl]-1,3-benzothiazole
CID 72190784
2-[12-(1,3-Benzothiazol-2-yl)-2,2-difluoro-8-(4-methoxyphenyl)-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl]-1,3-benzothiazole
CID 46242125
6,6'-(3-((9,9-dimethyl-9h-fluoren-3-yl)(4-methoxyphenyl)amino)thiophene-2,5-diyl)bis(N-(9,9-dimethyl-9h-fluoren-2-yl)-N,9-bis(4-methoxyphenyl)-9h-carbazol-3-amine)
CID 164853834
Bis(3,6-ditert-butyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole);3,6-ditert-butyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;3,6-ditert-butyl-9-[2-methyl-4-(trifluoromethyl)phenyl]carbazole;3-methoxy-6-methyl-9-[2-methyl-4-(trifluoromethyl)phenyl]carbazole
CID 158304994
2-(9-Ethyl-6-methoxycarbazol-3-yl)-1,3-benzothiazole
CID 155929743
2-[5-[1-[3-(1,3-Benzothiazol-2-yl)-4-methoxyphenyl]-2,2-diphenylethenyl]-2-methoxyphenyl]-1,3-benzothiazole
CID 168303784
(e)-4-(5-(2-(9h-carbazol-9-yl)vinyl)thiophen-2-yl)-N,N-bis(4-methoxyphenyl)aniline
CID 168432047
2-[1-[4-[3-(1,3-Benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-2-phenylindol-3-yl]-1,3-benzothiazole
CID 21301869
2-[1-(4-Methoxyphenyl)-2-(4-piperidin-1-ylphenyl)indol-3-yl]-1,3-benzothiazole
CID 21301871
2-[2-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-1-(4-methoxyphenyl)indol-3-yl]-1,3-benzothiazole
CID 21301872

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline?
The IUPAC name of N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline (CID 21301880) is N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline.
What is the SMILES notation for N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline?
The canonical SMILES for N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline is COc1ccc(-n2c(-c3ccc(N(c4ccc(-c5c(-c6nc7ccccc7s6)c6ccccc6n5-c5ccccc5)cc4)c4ccc(-c5c(-c6nc7ccccc7s6)c6ccccc6n5-c5ccccc5)cc4)cc3)c(-c3nc4ccccc4s3)c3ccccc32)cc1.
What is the InChIKey of N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline?
The InChIKey is CAZLDOVXQLNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H53N7OS3/c1-90-61-50-48-60(49-51-61)89-70-32-16-10-26-64(70)76(82-85-67-29-13-19-35-73(67)93-82)79(89)54-40-46-59(47-41-54)86(57-42-36-52(37-43-57)77-74(80-83-65-27-11-17-33-71(65)91-80)62-24-8-14-30-68(62)87(77)55-20-4-2-5-21-55)58-44-38-53(39-45-58)78-75(81-84-66-28-12-18-34-72(66)92-81)63-25-9-15-31-69(63)88(78)56-22-6-3-7-23-56/h2-51H,1H3.
What are the key properties of N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline?
N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline has a molecular weight of 1248.58 g/mol, XLogP of 22.83, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline is sourced from PubChem (CID 21301880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).