N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine

C55H40N2O2 — CID 167129878

About N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine (PubChem CID 167129878) has the molecular formula C55H40N2O2 and a molecular weight of 760.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine
• PubChem CID: 167129878
• Molecular Formula: C55H40N2O2
• Molecular Weight: 760.94 g/mol
• Exact Mass: 760.31
• IUPAC Name: N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)oc4cc6nc(-c7ccccc7)oc6cc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)ccc21
• InChI: InChI=1S/C55H40N2O2/c1-54(2)43-17-10-8-15-38(43)41-30-37(26-28-45(41)54)57(48-20-12-19-46-52(48)40-16-9-11-18-44(40)55(46,3)4)36-24-21-33(22-25-36)35-23-27-39-42-31-51-47(32-50(42)58-49(39)29-35)56-53(59-51)34-13-6-5-7-14-34/h5-32H,1-4H3
• InChIKey: GTFDNFKBSBLWQO-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 42.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.94
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine (CID 167129878) is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)oc4cc6nc(-c7ccccc7)oc6cc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine?

The InChIKey is GTFDNFKBSBLWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2O2/c1-54(2)43-17-10-8-15-38(43)41-30-37(26-28-45(41)54)57(48-20-12-19-46-52(48)40-16-9-11-18-44(40)55(46,3)4)36-24-21-33(22-25-36)35-23-27-39-42-31-51-47(32-50(42)58-49(39)29-35)56-53(59-51)34-13-6-5-7-14-34/h5-32H,1-4H3.

What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine?

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine has a molecular weight of 760.94 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 167129878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).