7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine

C52H34N4S — CID 155135962

IUPAC7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C52H34N4S/c1-3-11-35(12-4-1)37-19-25-42(26-20-37)55(43-27-21-38(22-28-43)36-13-5-2-6-14-36)49-32-31-45(51-52(49)54-57-53-51)39-23-29-44(30-24-39)56-48-18-10-9-17-46(48)47-33-40-15-7-8-16-41(40)34-50(47)56/h1-34H
InChIKeyUPCSGIORKUAEHK-UHFFFAOYSA-N
MW746.94 g/mol
LogP14.41
Rot. Bonds7

About 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine

7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 155135962) has the molecular formula C52H34N4S and a molecular weight of 746.94 g/mol. Its IUPAC name is 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID155135962
Molecular FormulaC52H34N4S
Molecular Weight746.94 g/mol
Exact Mass746.25
IUPAC Name7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C52H34N4S/c1-3-11-35(12-4-1)37-19-25-42(26-20-37)55(43-27-21-38(22-28-43)36-13-5-2-6-14-36)49-32-31-45(51-52(49)54-57-53-51)39-23-29-44(30-24-39)56-48-18-10-9-17-46(48)47-33-40-15-7-8-16-41(40)34-50(47)56/h1-34H
InChIKeyUPCSGIORKUAEHK-UHFFFAOYSA-N
XLogP14.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.94
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-bis(4-methoxyphenyl)carbazol-9-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135859
N,N,7-tris(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 146250945
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-[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-difluorocarbazol-9-yl)phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 146251066
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
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-(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-diphenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine
CID 155617414
7-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2,4,6-trifluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine
CID 146250933

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine (CID 155135962) is 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)c4nsnc34)cc2)cc1.
What is the InChIKey of 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is UPCSGIORKUAEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4S/c1-3-11-35(12-4-1)37-19-25-42(26-20-37)55(43-27-21-38(22-28-43)36-13-5-2-6-14-36)49-32-31-45(51-52(49)54-57-53-51)39-23-29-44(30-24-39)56-48-18-10-9-17-46(48)47-33-40-15-7-8-16-41(40)34-50(47)56/h1-34H.
What are the key properties of 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 746.94 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 155135962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).