7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine

C91H59N5S — CID 155136214

About 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine

7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 155136214) has the molecular formula C91H59N5S and a molecular weight of 1254.58 g/mol. Its IUPAC name is 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

• Compound Name: 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
• PubChem CID: 155136214
• Molecular Formula: C91H59N5S
• Molecular Weight: 1254.58 g/mol
• Exact Mass: 1253.45
• IUPAC Name: 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
• SMILES: c1ccc(-c2ccc(C3c4ccccc4-c4cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6ccc(-c7ccc(-n8c9ccc(-c%10ccccc%10)cc9c9cc(-c%10ccccc%10)ccc98)cc7)c7nsnc67)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C91H59N5S/c1-5-17-59(18-6-1)62-29-31-66(32-30-62)89-78-27-14-13-25-76(78)80-55-67(39-49-79(80)89)63-33-43-72(44-34-63)94(73-45-35-64(36-46-73)70-42-51-85-81(56-70)77-26-15-16-28-84(77)95(85)71-23-11-4-12-24-71)88-54-50-75(90-91(88)93-97-92-90)65-37-47-74(48-38-65)96-86-52-40-68(60-19-7-2-8-20-60)57-82(86)83-58-69(41-53-87(83)96)61-21-9-3-10-22-61/h1-58,89H
• InChIKey: UTSNFTBMFMCAAS-UHFFFAOYSA-N
• XLogP: 24.52
• TPSA: 38.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1254.58
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?

The IUPAC name of 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine (CID 155136214) is 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine.

What is the SMILES notation for 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?

The canonical SMILES for 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine is c1ccc(-c2ccc(C3c4ccccc4-c4cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6ccc(-c7ccc(-n8c9ccc(-c%10ccccc%10)cc9c9cc(-c%10ccccc%10)ccc98)cc7)c7nsnc67)cc5)ccc43)cc2)cc1.

What is the InChIKey of 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?

The InChIKey is UTSNFTBMFMCAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H59N5S/c1-5-17-59(18-6-1)62-29-31-66(32-30-62)89-78-27-14-13-25-76(78)80-55-67(39-49-79(80)89)63-33-43-72(44-34-63)94(73-45-35-64(36-46-73)70-42-51-85-81(56-70)77-26-15-16-28-84(77)95(85)71-23-11-4-12-24-71)88-54-50-75(90-91(88)93-97-92-90)65-37-47-74(48-38-65)96-86-52-40-68(60-19-7-2-8-20-60)57-82(86)83-58-69(41-53-87(83)96)61-21-9-3-10-22-61/h1-58,89H.

What are the key properties of 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?

7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 1254.58 g/mol, XLogP of 24.52, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-(4-phenylphenyl)-9H-fluoren-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 155136214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).