3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide

C27H33BrN2 — CID 173333229

IUPAC3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide
SMILESBr.CCN(CC)c1ccc2c(c1)-c1cc(N(CC)CC)ccc1C2c1ccccc1
InChIInChI=1S/C27H32N2.BrH/c1-5-28(6-2)21-14-16-23-25(18-21)26-19-22(29(7-3)8-4)15-17-24(26)27(23)20-12-10-9-11-13-20;/h9-19,27H,5-8H2,1-4H3;1H
InChIKeyICKADASEUSYHLU-UHFFFAOYSA-N
MW465.48 g/mol
LogP7.12
Rot. Bonds7

About 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide

3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide (PubChem CID 173333229) has the molecular formula C27H33BrN2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide
PubChem CID173333229
Molecular FormulaC27H33BrN2
Molecular Weight465.48 g/mol
Exact Mass464.18
IUPAC Name3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide
SMILESBr.CCN(CC)c1ccc2c(c1)-c1cc(N(CC)CC)ccc1C2c1ccccc1
InChIInChI=1S/C27H32N2.BrH/c1-5-28(6-2)21-14-16-23-25(18-21)26-19-22(29(7-3)8-4)15-17-24(26)27(23)20-12-10-9-11-13-20;/h9-19,27H,5-8H2,1-4H3;1H
InChIKeyICKADASEUSYHLU-UHFFFAOYSA-N
XLogP7.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine
CID 19825834
9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine
CID 101256601
N,N-diethylaniline;hydrazine
CID 161037544
N,N-diethylaniline
CID 7061
CID 161146216
CID 161146216
[3-(diethylamino)phenyl]-triphenylphosphanium
CID 159197877
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
9-(4-methoxyphenyl)-N,N-dimethyl-9H-fluoren-3-amine
CID 139683494
N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine
CID 91745838
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline
CID 129256095
1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
CID 28809952

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide?
The IUPAC name of 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide (CID 173333229) is 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide is Br.CCN(CC)c1ccc2c(c1)-c1cc(N(CC)CC)ccc1C2c1ccccc1.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide?
The InChIKey is ICKADASEUSYHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2.BrH/c1-5-28(6-2)21-14-16-23-25(18-21)26-19-22(29(7-3)8-4)15-17-24(26)27(23)20-12-10-9-11-13-20;/h9-19,27H,5-8H2,1-4H3;1H.
What are the key properties of 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide?
3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide has a molecular weight of 465.48 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide is sourced from PubChem (CID 173333229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).