7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine

C41H35FN2O — CID 23593178

IUPAC7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine
SMILESCc1ccc(Oc2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(C)c5ccc(F)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C41H35FN2O/c1-28-10-20-35(21-11-28)45-36-22-16-32(17-23-36)44(31-8-6-5-7-9-31)34-19-25-38-37-24-18-33(26-39(37)41(2,3)40(38)27-34)43(4)30-14-12-29(42)13-15-30/h5-27H,1-4H3
InChIKeyVWOPUWJHCNSYLU-UHFFFAOYSA-N
MW590.74 g/mol
LogP11.47
Rot. Bonds7

About 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine

7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine (PubChem CID 23593178) has the molecular formula C41H35FN2O and a molecular weight of 590.74 g/mol. Its IUPAC name is 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine.

Molecular Properties

Compound Name7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine
PubChem CID23593178
Molecular FormulaC41H35FN2O
Molecular Weight590.74 g/mol
Exact Mass590.27
IUPAC Name7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine
SMILESCc1ccc(Oc2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(C)c5ccc(F)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C41H35FN2O/c1-28-10-20-35(21-11-28)45-36-22-16-32(17-23-36)44(31-8-6-5-7-9-31)34-19-25-38-37-24-18-33(26-39(37)41(2,3)40(38)27-34)43(4)30-14-12-29(42)13-15-30/h5-27H,1-4H3
InChIKeyVWOPUWJHCNSYLU-UHFFFAOYSA-N
XLogP11.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.74
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine?
The IUPAC name of 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine (CID 23593178) is 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine.
What is the SMILES notation for 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine?
The canonical SMILES for 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine is Cc1ccc(Oc2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(C)c5ccc(F)cc5)ccc3-4)cc2)cc1.
What is the InChIKey of 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine?
The InChIKey is VWOPUWJHCNSYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35FN2O/c1-28-10-20-35(21-11-28)45-36-22-16-32(17-23-36)44(31-8-6-5-7-9-31)34-19-25-38-37-24-18-33(26-39(37)41(2,3)40(38)27-34)43(4)30-14-12-29(42)13-15-30/h5-27H,1-4H3.
What are the key properties of 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine?
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine has a molecular weight of 590.74 g/mol, XLogP of 11.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine is sourced from PubChem (CID 23593178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).