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

C81H55N3O — CID 89213188

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

N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 89213188) has the molecular formula C81H55N3O and a molecular weight of 1086.35 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 89213188
• Molecular Formula: C81H55N3O
• Molecular Weight: 1086.35 g/mol
• Exact Mass: 1085.43
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21
• InChI: InChI=1S/C81H55N3O/c1-81(2)73-49-58(59-34-43-69-67-19-9-12-22-75(67)84(78(69)50-59)61-17-7-4-8-18-61)33-42-65(73)66-44-41-64(51-74(66)81)82(63-39-31-55(32-40-63)57-36-46-80-72(48-57)70-21-11-14-24-79(70)85-80)62-37-29-53(30-38-62)52-25-27-54(28-26-52)56-35-45-77-71(47-56)68-20-10-13-23-76(68)83(77)60-15-5-3-6-16-60/h3-51H,1-2H3
• InChIKey: NMAQMSDFYXKIOI-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.35
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine (CID 89213188) is N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine.

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

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.

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

The InChIKey is NMAQMSDFYXKIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H55N3O/c1-81(2)73-49-58(59-34-43-69-67-19-9-12-22-75(67)84(78(69)50-59)61-17-7-4-8-18-61)33-42-65(73)66-44-41-64(51-74(66)81)82(63-39-31-55(32-40-63)57-36-46-80-72(48-57)70-21-11-14-24-79(70)85-80)62-37-29-53(30-38-62)52-25-27-54(28-26-52)56-35-45-77-71(47-56)68-20-10-13-23-76(68)83(77)60-15-5-3-6-16-60/h3-51H,1-2H3.

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

N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 1086.35 g/mol, XLogP of 22.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 89213188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).