N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine

C77H58N2 — CID 155472227

About N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine

N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 155472227) has the molecular formula C77H58N2 and a molecular weight of 1011.32 g/mol. Its IUPAC name is N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
• PubChem CID: 155472227
• Molecular Formula: C77H58N2
• Molecular Weight: 1011.32 g/mol
• Exact Mass: 1010.46
• IUPAC Name: N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
• SMILES: CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C77H58N2/c1-3-53-29-46-75-70(49-53)71-50-54(4-2)30-47-76(71)79(75)65-42-37-59(38-43-65)57-33-31-56(32-34-57)58-35-40-64(41-36-58)78(74-48-39-61(55-19-9-5-10-20-55)51-69(74)60-21-11-6-12-22-60)66-44-45-68-67-27-17-18-28-72(67)77(73(68)52-66,62-23-13-7-14-24-62)63-25-15-8-16-26-63/h5-52H,3-4H2,1-2H3
• InChIKey: IYMLMNCTSOFNEN-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.32
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine?

The IUPAC name of N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine (CID 155472227) is N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine.

What is the SMILES notation for N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine?

The canonical SMILES for N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine is CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine?

The InChIKey is IYMLMNCTSOFNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H58N2/c1-3-53-29-46-75-70(49-53)71-50-54(4-2)30-47-76(71)79(75)65-42-37-59(38-43-65)57-33-31-56(32-34-57)58-35-40-64(41-36-58)78(74-48-39-61(55-19-9-5-10-20-55)51-69(74)60-21-11-6-12-22-60)66-44-45-68-67-27-17-18-28-72(67)77(73(68)52-66,62-23-13-7-14-24-62)63-25-15-8-16-26-63/h5-52H,3-4H2,1-2H3.

What are the key properties of N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine?

N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 1011.32 g/mol, XLogP of 20.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 155472227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).