4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine

C175H108F6N14OS3 — CID 158104211

IUPAC4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
SMILESFc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4nsnc34)cc2)cc1.Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c4nsnc34)cc2)cc1.N#Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccc(F)cc7)cc6c6cc(-c7ccc(F)cc7)ccc65)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C60H37F2N5OS.C60H38F2N4S.C55H33F2N5S/c61-43-22-14-38(15-23-43)41-20-33-52-50(36-41)51-37-42(39-16-24-44(62)25-17-39)21-34-53(51)66(52)47-26-18-40(19-27-47)49-32-35-56(60-59(49)63-69-64-60)65(45-8-2-1-3-9-45)46-28-30-48(31-29-46)67-54-10-4-6-12-57(54)68-58-13-7-5-11-55(58)67;61-48-23-11-43(12-24-48)46-21-34-56-54(37-46)55-38-47(44-13-25-49(62)26-14-44)22-35-57(55)66(56)52-31-19-45(20-32-52)53-33-36-58(60-59(53)63-67-64-60)65(50-27-15-41(16-28-50)39-7-3-1-4-8-39)51-29-17-42(18-30-51)40-9-5-2-6-10-40;56-43-20-10-38(11-21-43)41-18-29-51-49(32-41)50-33-42(39-12-22-44(57)23-13-39)19-30-52(50)62(51)47-26-16-40(17-27-47)48-28-31-53(55-54(48)59-63-60-55)61(45-4-2-1-3-5-45)46-24-14-37(15-25-46)36-8-6-35(34-58)7-9-36/h1-37H;1-38H;1-33H
InChIKeyFPQDIVCNZSGGIU-UHFFFAOYSA-N
MW2633.07 g/mol
LogP49.06
Rot. Bonds25

About 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine

4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine (PubChem CID 158104211) has the molecular formula C175H108F6N14OS3 and a molecular weight of 2633.07 g/mol. Its IUPAC name is 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
PubChem CID158104211
Molecular FormulaC175H108F6N14OS3
Molecular Weight2633.07 g/mol
Exact Mass2630.79
IUPAC Name4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
SMILESFc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4nsnc34)cc2)cc1.Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c4nsnc34)cc2)cc1.N#Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccc(F)cc7)cc6c6cc(-c7ccc(F)cc7)ccc65)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C60H37F2N5OS.C60H38F2N4S.C55H33F2N5S/c61-43-22-14-38(15-23-43)41-20-33-52-50(36-41)51-37-42(39-16-24-44(62)25-17-39)21-34-53(51)66(52)47-26-18-40(19-27-47)49-32-35-56(60-59(49)63-69-64-60)65(45-8-2-1-3-9-45)46-28-30-48(31-29-46)67-54-10-4-6-12-57(54)68-58-13-7-5-11-55(58)67;61-48-23-11-43(12-24-48)46-21-34-56-54(37-46)55-38-47(44-13-25-49(62)26-14-44)22-35-57(55)66(56)52-31-19-45(20-32-52)53-33-36-58(60-59(53)63-67-64-60)65(50-27-15-41(16-28-50)39-7-3-1-4-8-39)51-29-17-42(18-30-51)40-9-5-2-6-10-40;56-43-20-10-38(11-21-43)41-18-29-51-49(32-41)50-33-42(39-12-22-44(57)23-13-39)19-30-52(50)62(51)47-26-16-40(17-27-47)48-28-31-53(55-54(48)59-63-60-55)61(45-4-2-1-3-5-45)46-24-14-37(15-25-46)36-8-6-35(34-58)7-9-36/h1-37H;1-38H;1-33H
InChIKeyFPQDIVCNZSGGIU-UHFFFAOYSA-N
XLogP49.06
TPSA138.11 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002633.07
LogP ≤ 549.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 146250987
4-[4-(N-[7-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile
CID 146251123
7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135956
7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 155617402
7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155135880
7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis[4-(4-fluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-(4-tritylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 157390328
7-[4-(3,6-difluorocarbazol-9-yl)phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 146251066
7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine
CID 155617414
7-[4-[3,6-bis[4-(4-tert-butylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135841
7-(4-benzo[a]carbazol-11-ylphenyl)-N,N-bis[4-(4-fluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-(4-benzo[a]carbazol-11-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[9-[4-(9,9-dimethylacridin-10-yl)phenyl]naphtho[2,3-a]carbazol-12-yl]phenyl]-N-[3-(2-fluorophenyl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[9-[4-(9,9-dimethylacridin-10-yl)phenyl]naphtho[2,3-a]carbazol-12-yl]phenyl]-N-(3-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 160799260
7-[4-(17-naphthalen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-21-yl)phenyl]-N-(3-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 146251183
7-[4-[3,6-bis(4-methoxyphenyl)carbazol-9-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135859

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine (CID 158104211) is 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine is Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4nsnc34)cc2)cc1.Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c4nsnc34)cc2)cc1.N#Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccc(F)cc7)cc6c6cc(-c7ccc(F)cc7)ccc65)cc4)c4nsnc34)cc2)cc1.
What is the InChIKey of 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine?
The InChIKey is FPQDIVCNZSGGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37F2N5OS.C60H38F2N4S.C55H33F2N5S/c61-43-22-14-38(15-23-43)41-20-33-52-50(36-41)51-37-42(39-16-24-44(62)25-17-39)21-34-53(51)66(52)47-26-18-40(19-27-47)49-32-35-56(60-59(49)63-69-64-60)65(45-8-2-1-3-9-45)46-28-30-48(31-29-46)67-54-10-4-6-12-57(54)68-58-13-7-5-11-55(58)67;61-48-23-11-43(12-24-48)46-21-34-56-54(37-46)55-38-47(44-13-25-49(62)26-14-44)22-35-57(55)66(56)52-31-19-45(20-32-52)53-33-36-58(60-59(53)63-67-64-60)65(50-27-15-41(16-28-50)39-7-3-1-4-8-39)51-29-17-42(18-30-51)40-9-5-2-6-10-40;56-43-20-10-38(11-21-43)41-18-29-51-49(32-41)50-33-42(39-12-22-44(57)23-13-39)19-30-52(50)62(51)47-26-16-40(17-27-47)48-28-31-53(55-54(48)59-63-60-55)61(45-4-2-1-3-5-45)46-24-14-37(15-25-46)36-8-6-35(34-58)7-9-36/h1-37H;1-38H;1-33H.
What are the key properties of 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine?
4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine has a molecular weight of 2633.07 g/mol, XLogP of 49.06, 25 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 158104211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).