N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine

C33H35N — CID 20685715

IUPACN,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc21
InChIInChI=1S/C33H35N/c1-7-33(8-2)31-12-10-9-11-29(31)30-18-17-28(21-32(30)33)34(26-15-13-22(3)24(5)19-26)27-16-14-23(4)25(6)20-27/h9-21H,7-8H2,1-6H3
InChIKeyJRQBAKGDMBLTKA-UHFFFAOYSA-N
MW445.65 g/mol
LogP9.48
Rot. Bonds5

About N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine

N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine (PubChem CID 20685715) has the molecular formula C33H35N and a molecular weight of 445.65 g/mol. Its IUPAC name is N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
PubChem CID20685715
Molecular FormulaC33H35N
Molecular Weight445.65 g/mol
Exact Mass445.28
IUPAC NameN,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc21
InChIInChI=1S/C33H35N/c1-7-33(8-2)31-12-10-9-11-29(31)30-18-17-28(21-32(30)33)34(26-15-13-22(3)24(5)19-26)27-16-14-23(4)25(6)20-27/h9-21H,7-8H2,1-6H3
InChIKeyJRQBAKGDMBLTKA-UHFFFAOYSA-N
XLogP9.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262272
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
CID 89075120
7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 118424877
9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine
CID 139815803
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine
CID 168810437
[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 67039823

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine?
The IUPAC name of N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine (CID 20685715) is N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine.
What is the SMILES notation for N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine?
The canonical SMILES for N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc21.
What is the InChIKey of N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine?
The InChIKey is JRQBAKGDMBLTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N/c1-7-33(8-2)31-12-10-9-11-29(31)30-18-17-28(21-32(30)33)34(26-15-13-22(3)24(5)19-26)27-16-14-23(4)25(6)20-27/h9-21H,7-8H2,1-6H3.
What are the key properties of N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine?
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine has a molecular weight of 445.65 g/mol, XLogP of 9.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine is sourced from PubChem (CID 20685715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).