N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C59H40N2O2 — CID 118405626

About N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 118405626) has the molecular formula C59H40N2O2 and a molecular weight of 808.98 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 118405626
• Molecular Formula: C59H40N2O2
• Molecular Weight: 808.98 g/mol
• Exact Mass: 808.31
• IUPAC Name: N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc21
• InChI: InChI=1S/C59H40N2O2/c1-59(2)51-15-7-4-12-45(51)46-32-31-44(34-52(46)59)60(42-29-23-39(24-30-42)57-33-40-11-3-9-17-55(40)62-57)41-25-19-37(20-26-41)38-21-27-43(28-22-38)61-53-16-8-5-13-47(53)49-36-58-50(35-54(49)61)48-14-6-10-18-56(48)63-58/h3-36H,1-2H3
• InChIKey: UGDGCULNCDUXAS-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.98
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 118405626) is N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc21.

What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?

The InChIKey is UGDGCULNCDUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O2/c1-59(2)51-15-7-4-12-45(51)46-32-31-44(34-52(46)59)60(42-29-23-39(24-30-42)57-33-40-11-3-9-17-55(40)62-57)41-25-19-37(20-26-41)38-21-27-43(28-22-38)61-53-16-8-5-13-47(53)49-36-58-50(35-54(49)61)48-14-6-10-18-56(48)63-58/h3-36H,1-2H3.

What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?

N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 808.98 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 118405626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).