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

C84H56N4S — CID 155135956

IUPAC7-[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
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5nsnc45)cc3)cc2)cc1
InChIInChI=1S/C84H56N4S/c1-6-16-57(17-7-1)62-26-30-65(31-27-62)69-40-49-80-78(55-69)79-56-70(66-32-28-63(29-33-66)58-18-8-2-9-19-58)41-50-81(79)88(80)76-46-38-68(39-47-76)77-48-51-82(84-83(77)85-89-86-84)87(74-42-34-64(35-43-74)59-20-10-3-11-21-59)75-44-36-67(37-45-75)73-53-71(60-22-12-4-13-23-60)52-72(54-73)61-24-14-5-15-25-61/h1-56H
InChIKeyOZPGTFVNKTUHTR-UHFFFAOYSA-N
MW1153.47 g/mol
LogP23.26
Rot. Bonds13

About 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

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 (PubChem CID 155135956) has the molecular formula C84H56N4S and a molecular weight of 1153.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID155135956
Molecular FormulaC84H56N4S
Molecular Weight1153.47 g/mol
Exact Mass1152.42
IUPAC Name7-[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
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5nsnc45)cc3)cc2)cc1
InChIInChI=1S/C84H56N4S/c1-6-16-57(17-7-1)62-26-30-65(31-27-62)69-40-49-80-78(55-69)79-56-70(66-32-28-63(29-33-66)58-18-8-2-9-19-58)41-50-81(79)88(80)76-46-38-68(39-47-76)77-48-51-82(84-83(77)85-89-86-84)87(74-42-34-64(35-43-74)59-20-10-3-11-21-59)75-44-36-67(37-45-75)73-53-71(60-22-12-4-13-23-60)52-72(54-73)61-24-14-5-15-25-61/h1-56H
InChIKeyOZPGTFVNKTUHTR-UHFFFAOYSA-N
XLogP23.26
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.47
LogP ≤ 523.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-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-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 146251257
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
7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N-[4-(4-methoxyphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155135866
7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135962
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-[9-(4-phenylphenyl)carbazol-3-yl]-N,N-bis[4-[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 155445466
N,N,7-tris(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 146250945
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-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 160750154

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5nsnc45)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is OZPGTFVNKTUHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N4S/c1-6-16-57(17-7-1)62-26-30-65(31-27-62)69-40-49-80-78(55-69)79-56-70(66-32-28-63(29-33-66)58-18-8-2-9-19-58)41-50-81(79)88(80)76-46-38-68(39-47-76)77-48-51-82(84-83(77)85-89-86-84)87(74-42-34-64(35-43-74)59-20-10-3-11-21-59)75-44-36-67(37-45-75)73-53-71(60-22-12-4-13-23-60)52-72(54-73)61-24-14-5-15-25-61/h1-56H.
What are the key properties of 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?
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 has a molecular weight of 1153.47 g/mol, XLogP of 23.26, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155135956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).