2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine

C24H22FN — CID 59742364

IUPAC2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine
SMILESCC1(C)c2cc(N)ccc2-c2cc3c(cc21)-c1ccc(F)cc1C3(C)C
InChIInChI=1S/C24H22FN/c1-23(2)19-9-13(25)5-7-15(19)17-11-22-18(12-21(17)23)16-8-6-14(26)10-20(16)24(22,3)4/h5-12H,26H2,1-4H3
InChIKeySRMINLXCMCANMG-UHFFFAOYSA-N
MW343.45 g/mol
LogP6.02
Rot. Bonds

About 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine

2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine (PubChem CID 59742364) has the molecular formula C24H22FN and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine.

Molecular Properties

Compound Name2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine
PubChem CID59742364
Molecular FormulaC24H22FN
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine
SMILESCC1(C)c2cc(N)ccc2-c2cc3c(cc21)-c1ccc(F)cc1C3(C)C
InChIInChI=1S/C24H22FN/c1-23(2)19-9-13(25)5-7-15(19)17-11-22-18(12-21(17)23)16-8-6-14(26)10-20(16)24(22,3)4/h5-12H,26H2,1-4H3
InChIKeySRMINLXCMCANMG-UHFFFAOYSA-N
XLogP6.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine?
The IUPAC name of 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine (CID 59742364) is 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine.
What is the SMILES notation for 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine?
The canonical SMILES for 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine is CC1(C)c2cc(N)ccc2-c2cc3c(cc21)-c1ccc(F)cc1C3(C)C.
What is the InChIKey of 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine?
The InChIKey is SRMINLXCMCANMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN/c1-23(2)19-9-13(25)5-7-15(19)17-11-22-18(12-21(17)23)16-8-6-14(26)10-20(16)24(22,3)4/h5-12H,26H2,1-4H3.
What are the key properties of 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine?
2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine has a molecular weight of 343.45 g/mol, XLogP of 6.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine is sourced from PubChem (CID 59742364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).