7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine

C42H33F3N2O — CID 23593264

IUPAC7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(N(C)c6ccc(C(F)(F)F)cc6)ccc4-5)cc3c2c1
InChIInChI=1S/C42H33F3N2O/c1-26-10-20-39-35(22-26)36-23-31(17-21-40(36)48-39)47(29-8-6-5-7-9-29)32-16-19-34-33-18-15-30(24-37(33)41(2,3)38(34)25-32)46(4)28-13-11-27(12-14-28)42(43,44)45/h5-25H,1-4H3
InChIKeyUPRMCPCRNGRTAS-UHFFFAOYSA-N
MW638.73 g/mol
LogP12.46
Rot. Bonds5

About 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine

7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine (PubChem CID 23593264) has the molecular formula C42H33F3N2O and a molecular weight of 638.73 g/mol. Its IUPAC name is 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine.

Molecular Properties

Compound Name7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine
PubChem CID23593264
Molecular FormulaC42H33F3N2O
Molecular Weight638.73 g/mol
Exact Mass638.25
IUPAC Name7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(N(C)c6ccc(C(F)(F)F)cc6)ccc4-5)cc3c2c1
InChIInChI=1S/C42H33F3N2O/c1-26-10-20-39-35(22-26)36-23-31(17-21-40(36)48-39)47(29-8-6-5-7-9-29)32-16-19-34-33-18-15-30(24-37(33)41(2,3)38(34)25-32)46(4)28-13-11-27(12-14-28)42(43,44)45/h5-25H,1-4H3
InChIKeyUPRMCPCRNGRTAS-UHFFFAOYSA-N
XLogP12.46
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.73
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine 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

Potassium Hyaluronate
CID 76816200
N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline
CID 102306986
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine
CID 23593180
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593199
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593201
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine
CID 23593209
3-N-(4-fluorophenyl)-3-N-methyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)dibenzofuran-3,7-diamine
CID 23593219
N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine
CID 23593255
3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593335
3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593337
3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593367
3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
CID 23593368

Frequently Asked Questions

What is the IUPAC name of 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine?
The IUPAC name of 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine (CID 23593264) is 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine.
What is the SMILES notation for 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine?
The canonical SMILES for 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine is Cc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(N(C)c6ccc(C(F)(F)F)cc6)ccc4-5)cc3c2c1.
What is the InChIKey of 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine?
The InChIKey is UPRMCPCRNGRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33F3N2O/c1-26-10-20-39-35(22-26)36-23-31(17-21-40(36)48-39)47(29-8-6-5-7-9-29)32-16-19-34-33-18-15-30(24-37(33)41(2,3)38(34)25-32)46(4)28-13-11-27(12-14-28)42(43,44)45/h5-25H,1-4H3.
What are the key properties of 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine?
7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine has a molecular weight of 638.73 g/mol, XLogP of 12.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 23593264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).