N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine

C63H53N — CID 130203887

About N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine

N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 130203887) has the molecular formula C63H53N and a molecular weight of 824.12 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
• PubChem CID: 130203887
• Molecular Formula: C63H53N
• Molecular Weight: 824.12 g/mol
• Exact Mass: 823.42
• IUPAC Name: N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3-c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C63H53N/c1-62(2)59-14-8-7-13-56(59)57-29-28-55(37-60(57)62)64(54-26-21-47(22-27-54)50-17-15-44-9-3-5-11-48(44)34-50)61-30-23-51(36-58(61)52-18-16-45-10-4-6-12-49(45)35-52)46-19-24-53(25-20-46)63-38-41-31-42(39-63)33-43(32-41)40-63/h3-30,34-37,41-43H,31-33,38-40H2,1-2H3
• InChIKey: BUABZDCRFFRFFT-UHFFFAOYSA-N
• XLogP: 17.24
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.12
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine (CID 130203887) is N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3-c3ccc4ccccc4c3)cc21.

What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?

The InChIKey is BUABZDCRFFRFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53N/c1-62(2)59-14-8-7-13-56(59)57-29-28-55(37-60(57)62)64(54-26-21-47(22-27-54)50-17-15-44-9-3-5-11-48(44)34-50)61-30-23-51(36-58(61)52-18-16-45-10-4-6-12-49(45)35-52)46-19-24-53(25-20-46)63-38-41-31-42(39-63)33-43(32-41)40-63/h3-30,34-37,41-43H,31-33,38-40H2,1-2H3.

What are the key properties of N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?

N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine has a molecular weight of 824.12 g/mol, XLogP of 17.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 130203887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).