N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine

C68H49NO2 — CID 176759825

About N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine

N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (PubChem CID 176759825) has the molecular formula C68H49NO2 and a molecular weight of 912.15 g/mol. Its IUPAC name is N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
• PubChem CID: 176759825
• Molecular Formula: C68H49NO2
• Molecular Weight: 912.15 g/mol
• Exact Mass: 911.38
• IUPAC Name: N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
• SMILES: c1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5cccc6oc7ccc(-c8ccc(C9CC%10CCC9C%10)cc8)cc7c56)c4c3c2)cc1
• InChI: InChI=1S/C68H49NO2/c1-3-14-44(15-4-1)47-34-36-62-56(40-47)66-60(24-12-26-64(66)70-62)69(52-19-11-18-51(42-52)68(50-16-5-2-6-17-50)58-22-9-7-20-53(58)54-21-8-10-23-59(54)68)61-25-13-27-65-67(61)57-41-48(35-37-63(57)71-65)45-30-32-46(33-31-45)55-39-43-28-29-49(55)38-43/h1-27,30-37,40-43,49,55H,28-29,38-39H2
• InChIKey: DNHXEZKOOOCIPS-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.15
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?

The IUPAC name of N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (CID 176759825) is N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.

What is the SMILES notation for N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?

The canonical SMILES for N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5cccc6oc7ccc(-c8ccc(C9CC%10CCC9C%10)cc8)cc7c56)c4c3c2)cc1.

What is the InChIKey of N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?

The InChIKey is DNHXEZKOOOCIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49NO2/c1-3-14-44(15-4-1)47-34-36-62-56(40-47)66-60(24-12-26-64(66)70-62)69(52-19-11-18-51(42-52)68(50-16-5-2-6-17-50)58-22-9-7-20-53(58)54-21-8-10-23-59(54)68)61-25-13-27-65-67(61)57-41-48(35-37-63(57)71-65)45-30-32-46(33-31-45)55-39-43-28-29-49(55)38-43/h1-27,30-37,40-43,49,55H,28-29,38-39H2.

What are the key properties of N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?

N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 912.15 g/mol, XLogP of 18.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176759825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).