N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine

C79H51N3 — CID 121358664

About N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine

N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 121358664) has the molecular formula C79H51N3 and a molecular weight of 1042.30 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

• Compound Name: N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine
• PubChem CID: 121358664
• Molecular Formula: C79H51N3
• Molecular Weight: 1042.30 g/mol
• Exact Mass: 1041.41
• IUPAC Name: N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
• InChI: InChI=1S/C79H51N3/c1-3-19-52(20-4-1)56-43-50-74-68(51-56)65-26-10-15-33-72(65)81(74)60-46-39-54(40-47-60)53-37-44-58(45-38-53)80(59-48-41-55(42-49-59)61-28-17-35-75-77(61)67-27-11-16-34-73(67)82(75)57-21-5-2-6-22-57)76-36-18-29-66-64-25-9-14-32-71(64)79(78(66)76)69-30-12-7-23-62(69)63-24-8-13-31-70(63)79/h1-51H
• InChIKey: DISMYLXEQONTLE-UHFFFAOYSA-N
• XLogP: 20.70
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1042.30
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine?

The IUPAC name of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine (CID 121358664) is N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine.

What is the SMILES notation for N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine?

The canonical SMILES for N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1.

What is the InChIKey of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine?

The InChIKey is DISMYLXEQONTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H51N3/c1-3-19-52(20-4-1)56-43-50-74-68(51-56)65-26-10-15-33-72(65)81(74)60-46-39-54(40-47-60)53-37-44-58(45-38-53)80(59-48-41-55(42-49-59)61-28-17-35-75-77(61)67-27-11-16-34-73(67)82(75)57-21-5-2-6-22-57)76-36-18-29-66-64-25-9-14-32-71(64)79(78(66)76)69-30-12-7-23-62(69)63-24-8-13-31-70(63)79/h1-51H.

What are the key properties of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine?

N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 1042.30 g/mol, XLogP of 20.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 121358664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).