9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine

C53H43N — CID 170538672

About 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 170538672) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 170538672
• Molecular Formula: C53H43N
• Molecular Weight: 693.93 g/mol
• Exact Mass: 693.34
• IUPAC Name: 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc(-c5cccc6c5CCCC6)cc4)cc3)c3ccc4ccccc4c3)ccc2-c2c(-c3ccccc3)cccc21
• InChI: InChI=1S/C53H43N/c1-53(2)50-21-11-20-48(40-13-4-3-5-14-40)52(50)49-33-32-45(35-51(49)53)54(44-31-28-36-12-6-7-16-42(36)34-44)43-29-26-38(27-30-43)37-22-24-41(25-23-37)47-19-10-17-39-15-8-9-18-46(39)47/h3-7,10-14,16-17,19-35H,8-9,15,18H2,1-2H3
• InChIKey: QSYQHUVNQROCQO-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.93
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine (CID 170538672) is 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc(-c5cccc6c5CCCC6)cc4)cc3)c3ccc4ccccc4c3)ccc2-c2c(-c3ccccc3)cccc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine?

The InChIKey is QSYQHUVNQROCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N/c1-53(2)50-21-11-20-48(40-13-4-3-5-14-40)52(50)49-33-32-45(35-51(49)53)54(44-31-28-36-12-6-7-16-42(36)34-44)43-29-26-38(27-30-43)37-22-24-41(25-23-37)47-19-10-17-39-15-8-9-18-46(39)47/h3-7,10-14,16-17,19-35H,8-9,15,18H2,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 693.93 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 170538672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).