N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane

C29H31N3 — CID 143043301

IUPACN-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane
SMILESCC.CC(C)(C)N(c1cccc(-c2ccccn2)n1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C27H25N3.C2H6/c1-27(2,3)30(26-16-9-14-24(29-26)23-13-6-7-17-28-23)25-15-8-12-21-20-11-5-4-10-19(20)18-22(21)25;1-2/h4-17H,18H2,1-3H3;1-2H3
InChIKeyVQDCUOIVWQBONY-UHFFFAOYSA-N
MW421.59 g/mol
LogP7.68
Rot. Bonds3

About N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane

N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane (PubChem CID 143043301) has the molecular formula C29H31N3 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane.

Molecular Properties

Compound NameN-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane
PubChem CID143043301
Molecular FormulaC29H31N3
Molecular Weight421.59 g/mol
Exact Mass421.25
IUPAC NameN-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane
SMILESCC.CC(C)(C)N(c1cccc(-c2ccccn2)n1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C27H25N3.C2H6/c1-27(2,3)30(26-16-9-14-24(29-26)23-13-6-7-17-28-23)25-15-8-12-21-20-11-5-4-10-19(20)18-22(21)25;1-2/h4-17H,18H2,1-3H3;1-2H3
InChIKeyVQDCUOIVWQBONY-UHFFFAOYSA-N
XLogP7.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane with MolForge

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Related Compounds

2-pyridin-2-yl-9H-fluoren-1-ol
CID 151501433
2-pyridin-2-yl-5H-indeno[1,2-b]pyridine
CID 58637338
8-(9H-fluoren-1-yl)quinoline
CID 151254514
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
benzene;ethane;9H-fluorene;naphthalene;pyridine
CID 160675726
4-(4-chlorophenyl)-2-pyridin-2-yl-5H-indeno[1,2-b]pyridine
CID 102085470
sodium N,N-bis(9H-fluoren-1-yl)carbamodithioate
CID 172839422
4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride
CID 159984185
Fluorenylsilane
CID 22104606
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane?
The IUPAC name of N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane (CID 143043301) is N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane.
What is the SMILES notation for N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane?
The canonical SMILES for N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane is CC.CC(C)(C)N(c1cccc(-c2ccccn2)n1)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane?
The InChIKey is VQDCUOIVWQBONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3.C2H6/c1-27(2,3)30(26-16-9-14-24(29-26)23-13-6-7-17-28-23)25-15-8-12-21-20-11-5-4-10-19(20)18-22(21)25;1-2/h4-17H,18H2,1-3H3;1-2H3.
What are the key properties of N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane?
N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane has a molecular weight of 421.59 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(9H-fluoren-1-yl)-6-pyridin-2-ylpyridin-2-amine;ethane is sourced from PubChem (CID 143043301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).