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

C91H60N6OS — CID 155135866

IUPAC7-[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
SMILESCOc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7)cc6c6cc(-c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7)ccc65)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C91H60N6OS/c1-98-75-51-39-64(40-52-75)63-31-43-71(44-32-63)94(70-13-3-2-4-14-70)89-56-53-76(90-91(89)93-99-92-90)67-37-49-74(50-38-67)97-87-54-41-68(65-27-23-59(24-28-65)61-33-45-72(46-34-61)95-83-19-9-5-15-77(83)78-16-6-10-20-84(78)95)57-81(87)82-58-69(42-55-88(82)97)66-29-25-60(26-30-66)62-35-47-73(48-36-62)96-85-21-11-7-17-79(85)80-18-8-12-22-86(80)96/h2-58H,1H3
InChIKeyRCFCWCOSHSMXIQ-UHFFFAOYSA-N
MW1285.59 g/mol
LogP24.46
Rot. Bonds13

About 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

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 (PubChem CID 155135866) has the molecular formula C91H60N6OS and a molecular weight of 1285.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID155135866
Molecular FormulaC91H60N6OS
Molecular Weight1285.59 g/mol
Exact Mass1284.45
IUPAC Name7-[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
SMILESCOc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7)cc6c6cc(-c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7)ccc65)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C91H60N6OS/c1-98-75-51-39-64(40-52-75)63-31-43-71(44-32-63)94(70-13-3-2-4-14-70)89-56-53-76(90-91(89)93-99-92-90)67-37-49-74(50-38-67)97-87-54-41-68(65-27-23-59(24-28-65)61-33-45-72(46-34-61)95-83-19-9-5-15-77(83)78-16-6-10-20-84(78)95)57-81(87)82-58-69(42-55-88(82)97)66-29-25-60(26-30-66)62-35-47-73(48-36-62)96-85-21-11-7-17-79(85)80-18-8-12-22-86(80)96/h2-58H,1H3
InChIKeyRCFCWCOSHSMXIQ-UHFFFAOYSA-N
XLogP24.46
TPSA53.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001285.59
LogP ≤ 524.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155135880
7-[4-[3,6-bis[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(4-methoxyphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155617443
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-methoxyphenyl)carbazol-9-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155136128
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
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,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-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-[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-difluorocarbazol-9-yl)phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 146251066

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7)cc6c6cc(-c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7)ccc65)cc4)c4nsnc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is RCFCWCOSHSMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H60N6OS/c1-98-75-51-39-64(40-52-75)63-31-43-71(44-32-63)94(70-13-3-2-4-14-70)89-56-53-76(90-91(89)93-99-92-90)67-37-49-74(50-38-67)97-87-54-41-68(65-27-23-59(24-28-65)61-33-45-72(46-34-61)95-83-19-9-5-15-77(83)78-16-6-10-20-84(78)95)57-81(87)82-58-69(42-55-88(82)97)66-29-25-60(26-30-66)62-35-47-73(48-36-62)96-85-21-11-7-17-79(85)80-18-8-12-22-86(80)96/h2-58H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1285.59 g/mol, XLogP of 24.46, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155135866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).