9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine

C79H55N3 — CID 89212856

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 89212856) has the molecular formula C79H55N3 and a molecular weight of 1046.33 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 89212856
• Molecular Formula: C79H55N3
• Molecular Weight: 1046.33 g/mol
• Exact Mass: 1045.44
• IUPAC Name: 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21
• InChI: InChI=1S/C79H55N3/c1-79(2)73-49-58(57-38-47-77-72(48-57)70-24-12-14-27-76(70)81(77)60-18-5-3-6-19-60)36-44-67(73)68-46-43-64(51-74(68)79)80(63-41-34-56(35-42-63)66-25-15-17-55-16-9-10-22-65(55)66)62-39-32-53(33-40-62)52-28-30-54(31-29-52)59-37-45-71-69-23-11-13-26-75(69)82(78(71)50-59)61-20-7-4-8-21-61/h3-51H,1-2H3
• InChIKey: GIAMBSFZXRJTRJ-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.33
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (CID 89212856) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

The InChIKey is GIAMBSFZXRJTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H55N3/c1-79(2)73-49-58(57-38-47-77-72(48-57)70-24-12-14-27-76(70)81(77)60-18-5-3-6-19-60)36-44-67(73)68-46-43-64(51-74(68)79)80(63-41-34-56(35-42-63)66-25-15-17-55-16-9-10-22-65(55)66)62-39-32-53(33-40-62)52-28-30-54(31-29-52)59-37-45-71-69-23-11-13-26-75(69)82(78(71)50-59)61-20-7-4-8-21-61/h3-51H,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 1046.33 g/mol, XLogP of 21.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 89212856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).