N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C₄₁H₄₃N — CID 155466839

About N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 155466839) has the molecular formula C₄₁H₄₃N and a molecular weight of 549.80 g/mol. Its IUPAC name is N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 155466839
• Molecular Formula: C₄₁H₄₃N
• Molecular Weight: 549.80 g/mol
• Exact Mass: 549.34
• IUPAC Name: N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: CC(C)(C)c1cc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C41H43N/c1-39(2,3)30-24-29(25-31(26-30)40(4,5)6)28-18-20-33(21-19-28)42(32-14-10-9-11-15-32)34-22-23-36-35-16-12-13-17-37(35)41(7,8)38(36)27-34/h9-27H,1-8H3
• InChIKey: PBHSKSDBZMSHJB-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.80
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The IUPAC name of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 155466839) is N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

What is the SMILES notation for N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The canonical SMILES for N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC(C)(C)c1cc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1.

What is the InChIKey of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The InChIKey is PBHSKSDBZMSHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43N/c1-39(2,3)30-24-29(25-31(26-30)40(4,5)6)28-18-20-33(21-19-28)42(32-14-10-9-11-15-32)34-22-23-36-35-16-12-13-17-37(35)41(7,8)38(36)27-34/h9-27H,1-8H3.

What are the key properties of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 549.80 g/mol, XLogP of 11.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 155466839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155466839 — identifiers, structure, computed properties (public domain)

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