9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine

C33H43N — CID 58151350

IUPAC9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(N(C)c3ccccc3)cc21
InChIInChI=1S/C33H43N/c1-5-7-9-14-22-33(23-15-10-8-6-2)31-24-26(3)18-20-29(31)30-21-19-28(25-32(30)33)34(4)27-16-12-11-13-17-27/h11-13,16-21,24-25H,5-10,14-15,22-23H2,1-4H3
InChIKeyVETPCVGKGZTEFL-UHFFFAOYSA-N
MW453.71 g/mol
LogP9.97
Rot. Bonds12

About 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine

9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine (PubChem CID 58151350) has the molecular formula C33H43N and a molecular weight of 453.71 g/mol. Its IUPAC name is 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
PubChem CID58151350
Molecular FormulaC33H43N
Molecular Weight453.71 g/mol
Exact Mass453.34
IUPAC Name9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(N(C)c3ccccc3)cc21
InChIInChI=1S/C33H43N/c1-5-7-9-14-22-33(23-15-10-8-6-2)31-24-26(3)18-20-29(31)30-21-19-28(25-32(30)33)34(4)27-16-12-11-13-17-27/h11-13,16-21,24-25H,5-10,14-15,22-23H2,1-4H3
InChIKeyVETPCVGKGZTEFL-UHFFFAOYSA-N
XLogP9.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.71
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-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

N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
CID 58151400
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-methylaniline
CID 58250969
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161230667
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161002521
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
2-N,7-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dihexyl-2-N,7-N-dimethylfluorene-2,7-diamine
CID 142500153
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487

Frequently Asked Questions

What is the IUPAC name of 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine (CID 58151350) is 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(N(C)c3ccccc3)cc21.
What is the InChIKey of 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is VETPCVGKGZTEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N/c1-5-7-9-14-22-33(23-15-10-8-6-2)31-24-26(3)18-20-29(31)30-21-19-28(25-32(30)33)34(4)27-16-12-11-13-17-27/h11-13,16-21,24-25H,5-10,14-15,22-23H2,1-4H3.
What are the key properties of 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine?
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 453.71 g/mol, XLogP of 9.97, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 58151350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).