9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine

C59H42N2O — CID 146581867

About 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine (PubChem CID 146581867) has the molecular formula C59H42N2O and a molecular weight of 795.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine
• PubChem CID: 146581867
• Molecular Formula: C59H42N2O
• Molecular Weight: 795.00 g/mol
• Exact Mass: 794.33
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C5(c6ccc7nc(-c8ccccc8)oc7c6)c6ccccc6-c6ccccc65)cc4)cc3)cc21
• InChI: InChI=1S/C59H42N2O/c1-58(2)51-22-12-9-19-47(51)50-35-34-46(38-54(50)58)61(44-17-7-4-8-18-44)45-32-27-40(28-33-45)39-25-29-42(30-26-39)59(52-23-13-10-20-48(52)49-21-11-14-24-53(49)59)43-31-36-55-56(37-43)62-57(60-55)41-15-5-3-6-16-41/h3-38H,1-2H3
• InChIKey: VMIUUITWCSHPDF-UHFFFAOYSA-N
• XLogP: 15.30
• TPSA: 29.27 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.00
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine (CID 146581867) is 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C5(c6ccc7nc(-c8ccccc8)oc7c6)c6ccccc6-c6ccccc65)cc4)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine?

The InChIKey is VMIUUITWCSHPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O/c1-58(2)51-22-12-9-19-47(51)50-35-34-46(38-54(50)58)61(44-17-7-4-8-18-44)45-32-27-40(28-33-45)39-25-29-42(30-26-39)59(52-23-13-10-20-48(52)49-21-11-14-24-53(49)59)43-31-36-55-56(37-43)62-57(60-55)41-15-5-3-6-16-41/h3-38H,1-2H3.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine has a molecular weight of 795.00 g/mol, XLogP of 15.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 146581867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).