N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine

C87H55N5S — CID 146251176

About N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine

N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 146251176) has the molecular formula C87H55N5S and a molecular weight of 1202.50 g/mol. Its IUPAC name is N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
• PubChem CID: 146251176
• Molecular Formula: C87H55N5S
• Molecular Weight: 1202.50 g/mol
• Exact Mass: 1201.42
• IUPAC Name: N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7c7c8cc9ccccc9cc8ccc76)cc5)c5nsnc45)c3)cc2)cc1
• InChI: InChI=1S/C87H55N5S/c1-4-22-64(23-5-1)90(65-24-6-2-7-25-65)67-42-35-56(36-43-67)59-21-18-28-69(52-59)91(66-26-8-3-9-27-66)83-50-47-70(85-86(83)89-93-88-85)57-37-44-68(45-38-57)92-81-48-40-61(54-76(81)84-75-53-60-20-11-10-19-58(60)51-63(75)41-49-82(84)92)62-39-46-74-73-31-14-17-34-79(73)87(80(74)55-62)77-32-15-12-29-71(77)72-30-13-16-33-78(72)87/h1-55H
• InChIKey: UDWXLOPAAVVMKG-UHFFFAOYSA-N
• XLogP: 23.38
• TPSA: 37.19 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1202.50
LogP ≤ 5	23.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?

The IUPAC name of N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine (CID 146251176) is N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine.

What is the SMILES notation for N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?

The canonical SMILES for N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine is c1ccc(N(c2ccccc2)c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7c7c8cc9ccccc9cc8ccc76)cc5)c5nsnc45)c3)cc2)cc1.

What is the InChIKey of N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?

The InChIKey is UDWXLOPAAVVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H55N5S/c1-4-22-64(23-5-1)90(65-24-6-2-7-25-65)67-42-35-56(36-43-67)59-21-18-28-69(52-59)91(66-26-8-3-9-27-66)83-50-47-70(85-86(83)89-93-88-85)57-37-44-68(45-38-57)92-81-48-40-61(54-76(81)84-75-53-60-20-11-10-19-58(60)51-63(75)41-49-82(84)92)62-39-46-74-73-31-14-17-34-79(73)87(80(74)55-62)77-32-15-12-29-71(77)72-30-13-16-33-78(72)87/h1-55H.

What are the key properties of N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?

N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 1202.50 g/mol, XLogP of 23.38, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 146251176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).