4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine

C25H27N — CID 175017589

IUPAC4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine
SMILESCC(C)(C)c1ccc(Nc2ccccc2)c2c1-c1ccccc1C2(C)C
InChIInChI=1S/C25H27N/c1-24(2,3)20-15-16-21(26-17-11-7-6-8-12-17)23-22(20)18-13-9-10-14-19(18)25(23,4)5/h6-16,26H,1-5H3
InChIKeyVPOCHFAXTQLSIT-UHFFFAOYSA-N
MW341.50 g/mol
LogP7.03
Rot. Bonds2

About 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine

4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine (PubChem CID 175017589) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine.

Molecular Properties

Compound Name4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine
PubChem CID175017589
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine
SMILESCC(C)(C)c1ccc(Nc2ccccc2)c2c1-c1ccccc1C2(C)C
InChIInChI=1S/C25H27N/c1-24(2,3)20-15-16-21(26-17-11-7-6-8-12-17)23-22(20)18-13-9-10-14-19(18)25(23,4)5/h6-16,26H,1-5H3
InChIKeyVPOCHFAXTQLSIT-UHFFFAOYSA-N
XLogP7.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine?
The IUPAC name of 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine (CID 175017589) is 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine.
What is the SMILES notation for 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine?
The canonical SMILES for 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine is CC(C)(C)c1ccc(Nc2ccccc2)c2c1-c1ccccc1C2(C)C.
What is the InChIKey of 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine?
The InChIKey is VPOCHFAXTQLSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-24(2,3)20-15-16-21(26-17-11-7-6-8-12-17)23-22(20)18-13-9-10-14-19(18)25(23,4)5/h6-16,26H,1-5H3.
What are the key properties of 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine?
4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine has a molecular weight of 341.50 g/mol, XLogP of 7.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine is sourced from PubChem (CID 175017589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).