4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine

C29H20F6N2 — CID 172819040

IUPAC4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine
SMILESNc1ccc2c(c1C(c1c(N)ccc3c1-c1ccccc1C3)(C(F)(F)F)C(F)(F)F)-c1ccccc1C2
InChIInChI=1S/C29H20F6N2/c30-28(31,32)27(29(33,34)35,25-21(36)11-9-17-13-15-5-1-3-7-19(15)23(17)25)26-22(37)12-10-18-14-16-6-2-4-8-20(16)24(18)26/h1-12H,13-14,36-37H2
InChIKeyTYYMHGRYVYCECM-UHFFFAOYSA-N
MW510.48 g/mol
LogP7.40
Rot. Bonds2

About 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine

4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine (PubChem CID 172819040) has the molecular formula C29H20F6N2 and a molecular weight of 510.48 g/mol. Its IUPAC name is 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine.

Molecular Properties

Compound Name4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine
PubChem CID172819040
Molecular FormulaC29H20F6N2
Molecular Weight510.48 g/mol
Exact Mass510.15
IUPAC Name4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine
SMILESNc1ccc2c(c1C(c1c(N)ccc3c1-c1ccccc1C3)(C(F)(F)F)C(F)(F)F)-c1ccccc1C2
InChIInChI=1S/C29H20F6N2/c30-28(31,32)27(29(33,34)35,25-21(36)11-9-17-13-15-5-1-3-7-19(15)23(17)25)26-22(37)12-10-18-14-16-6-2-4-8-20(16)24(18)26/h1-12H,13-14,36-37H2
InChIKeyTYYMHGRYVYCECM-UHFFFAOYSA-N
XLogP7.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.48
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine with MolForge

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Related Compounds

ethene;9H-fluorene
CID 159544077
tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
CID 91804905
4-chloro-9H-fluoren-1-amine
CID 86060029
azane;hexakis(9H-fluorene)
CID 158472914
cadmium;9H-fluorene
CID 175337736
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
benzene;3,4-dibromo-9H-fluorene
CID 159679673
9H-fluoren-4-ylboronic acid
CID 68786516
9H-fluoren-4-amine;1-phenyl-9H-fluorene
CID 175396170
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one
CID 139916519

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine?
The IUPAC name of 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine (CID 172819040) is 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine.
What is the SMILES notation for 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine?
The canonical SMILES for 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine is Nc1ccc2c(c1C(c1c(N)ccc3c1-c1ccccc1C3)(C(F)(F)F)C(F)(F)F)-c1ccccc1C2.
What is the InChIKey of 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine?
The InChIKey is TYYMHGRYVYCECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F6N2/c30-28(31,32)27(29(33,34)35,25-21(36)11-9-17-13-15-5-1-3-7-19(15)23(17)25)26-22(37)12-10-18-14-16-6-2-4-8-20(16)24(18)26/h1-12H,13-14,36-37H2.
What are the key properties of 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine?
4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine has a molecular weight of 510.48 g/mol, XLogP of 7.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine is sourced from PubChem (CID 172819040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).