N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C85H55N3 — CID 121358420

About N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 121358420) has the molecular formula C85H55N3 and a molecular weight of 1118.40 g/mol. Its IUPAC name is N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

• Compound Name: N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
• PubChem CID: 121358420
• Molecular Formula: C85H55N3
• Molecular Weight: 1118.40 g/mol
• Exact Mass: 1117.44
• IUPAC Name: N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C85H55N3/c1-4-20-56(21-5-1)61-44-52-79-72(54-61)73-55-62(57-22-6-2-7-23-57)45-53-80(73)87(79)66-48-40-59(41-49-66)58-38-46-64(47-39-58)86(65-50-42-60(43-51-65)67-30-18-36-81-83(67)71-29-13-17-35-78(71)88(81)63-24-8-3-9-25-63)82-37-19-34-77-84(82)70-28-12-16-33-76(70)85(77)74-31-14-10-26-68(74)69-27-11-15-32-75(69)85/h1-55H
• InChIKey: RHLJGJVYWIFSOJ-UHFFFAOYSA-N
• XLogP: 22.36
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1118.40
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?

The IUPAC name of N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 121358420) is N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

What is the SMILES notation for N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?

The canonical SMILES for N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?

The InChIKey is RHLJGJVYWIFSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H55N3/c1-4-20-56(21-5-1)61-44-52-79-72(54-61)73-55-62(57-22-6-2-7-23-57)45-53-80(73)87(79)66-48-40-59(41-49-66)58-38-46-64(47-39-58)86(65-50-42-60(43-51-65)67-30-18-36-81-83(67)71-29-13-17-35-78(71)88(81)63-24-8-3-9-25-63)82-37-19-34-77-84(82)70-28-12-16-33-76(70)85(77)74-31-14-10-26-68(74)69-27-11-15-32-75(69)85/h1-55H.

What are the key properties of N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?

N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1118.40 g/mol, XLogP of 22.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 121358420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).