9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C55H41NO — CID 135277301

About 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 135277301) has the molecular formula C55H41NO and a molecular weight of 731.94 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 135277301
• Molecular Formula: C55H41NO
• Molecular Weight: 731.94 g/mol
• Exact Mass: 731.32
• IUPAC Name: 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4-c4ccc6ccccc6c4)OC4C=CC=CC54)cc3)cc21
• InChI: InChI=1S/C55H41NO/c1-55(2)50-18-10-8-16-46(50)47-31-30-44(35-51(47)55)56(42-26-22-38(23-27-42)36-12-4-3-5-13-36)43-28-24-39(25-29-43)45-32-33-49-48-17-9-11-19-52(48)57-54(49)53(45)41-21-20-37-14-6-7-15-40(37)34-41/h3-35,48,52H,1-2H3
• InChIKey: OSPLJYFIFDVNJQ-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.94
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 135277301) is 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4-c4ccc6ccccc6c4)OC4C=CC=CC54)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is OSPLJYFIFDVNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41NO/c1-55(2)50-18-10-8-16-46(50)47-31-30-44(35-51(47)55)56(42-26-22-38(23-27-42)36-12-4-3-5-13-36)43-28-24-39(25-29-43)45-32-33-49-48-17-9-11-19-52(48)57-54(49)53(45)41-21-20-37-14-6-7-15-40(37)34-41/h3-35,48,52H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 731.94 g/mol, XLogP of 14.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 135277301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).