N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine

C66H43N3O — CID 118289224

About N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine

N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 118289224) has the molecular formula C66H43N3O and a molecular weight of 894.09 g/mol. Its IUPAC name is N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
• PubChem CID: 118289224
• Molecular Formula: C66H43N3O
• Molecular Weight: 894.09 g/mol
• Exact Mass: 893.34
• IUPAC Name: N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
• SMILES: c1ccc(N(c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C66H43N3O/c1-4-16-50(17-5-1)67(54-34-37-66-60(43-54)58-24-12-15-27-65(58)70-66)53-32-28-44(29-33-53)47-38-48(45-31-36-63-59(41-45)56-23-11-14-26-62(56)68(63)51-18-6-2-7-19-51)40-49(39-47)46-30-35-57-55-22-10-13-25-61(55)69(64(57)42-46)52-20-8-3-9-21-52/h1-43H
• InChIKey: IAVWPCMGBXBWQT-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.09
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine?

The IUPAC name of N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine (CID 118289224) is N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine.

What is the SMILES notation for N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine?

The canonical SMILES for N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine is c1ccc(N(c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine?

The InChIKey is IAVWPCMGBXBWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3O/c1-4-16-50(17-5-1)67(54-34-37-66-60(43-54)58-24-12-15-27-65(58)70-66)53-32-28-44(29-33-53)47-38-48(45-31-36-63-59(41-45)56-23-11-14-26-62(56)68(63)51-18-6-2-7-19-51)40-49(39-47)46-30-35-57-55-22-10-13-25-61(55)69(64(57)42-46)52-20-8-3-9-21-52/h1-43H.

What are the key properties of N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine?

N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 894.09 g/mol, XLogP of 18.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 118289224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).