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

C75H53N3 — CID 89212864

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

9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 89212864) has the molecular formula C75H53N3 and a molecular weight of 996.27 g/mol. Its IUPAC name is 9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 89212864
• Molecular Formula: C75H53N3
• Molecular Weight: 996.27 g/mol
• Exact Mass: 995.42
• IUPAC Name: 9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc21
• InChI: InChI=1S/C75H53N3/c1-75(2)69-47-56(57-35-43-67-65-22-12-14-24-71(65)78(74(67)48-57)59-20-10-5-11-21-59)34-42-63(69)64-44-41-62(49-70(64)75)76(60-37-30-52(31-38-60)50-16-6-3-7-17-50)61-39-32-53(33-40-61)51-26-28-54(29-27-51)55-36-45-73-68(46-55)66-23-13-15-25-72(66)77(73)58-18-8-4-9-19-58/h3-49H,1-2H3
• InChIKey: ANXTYFSQDDDEKI-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.27
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 89212864) is 9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc21.

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

The InChIKey is ANXTYFSQDDDEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H53N3/c1-75(2)69-47-56(57-35-43-67-65-22-12-14-24-71(65)78(74(67)48-57)59-20-10-5-11-21-59)34-42-63(69)64-44-41-62(49-70(64)75)76(60-37-30-52(31-38-60)50-16-6-3-7-17-50)61-39-32-53(33-40-61)51-26-28-54(29-27-51)55-36-45-73-68(46-55)66-23-13-15-25-72(66)77(73)58-18-8-4-9-19-58/h3-49H,1-2H3.

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

9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 996.27 g/mol, XLogP of 20.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 89212864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).