7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine

C41H33FN2O — CID 23593180

IUPAC7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(N(C)c6ccc(F)cc6)ccc4-5)cc3c2c1
InChIInChI=1S/C41H33FN2O/c1-26-10-20-39-35(22-26)36-23-31(17-21-40(36)45-39)44(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)43(4)28-13-11-27(42)12-14-28/h5-25H,1-4H3
InChIKeyNUSIAGUASXHXEH-UHFFFAOYSA-N
MW588.73 g/mol
LogP11.58
Rot. Bonds5

About 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine

7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine (PubChem CID 23593180) has the molecular formula C41H33FN2O and a molecular weight of 588.73 g/mol. Its IUPAC name is 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine.

Molecular Properties

Compound Name7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine
PubChem CID23593180
Molecular FormulaC41H33FN2O
Molecular Weight588.73 g/mol
Exact Mass588.26
IUPAC Name7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(N(C)c6ccc(F)cc6)ccc4-5)cc3c2c1
InChIInChI=1S/C41H33FN2O/c1-26-10-20-39-35(22-26)36-23-31(17-21-40(36)45-39)44(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)43(4)28-13-11-27(42)12-14-28/h5-25H,1-4H3
InChIKeyNUSIAGUASXHXEH-UHFFFAOYSA-N
XLogP11.58
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.73
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Potassium Hyaluronate
CID 76816200
N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22663955
8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
CID 22663962
N-[(3-fluoro-2-methylphenyl)methyl]dibenzofuran-2-amine
CID 22663991
8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine
CID 22663995
N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine
CID 22664173
N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22664186
8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine
CID 22664236
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-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 23593210

Frequently Asked Questions

What is the IUPAC name of 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine?
The IUPAC name of 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine (CID 23593180) is 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine.
What is the SMILES notation for 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine?
The canonical SMILES for 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine is Cc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(N(C)c6ccc(F)cc6)ccc4-5)cc3c2c1.
What is the InChIKey of 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine?
The InChIKey is NUSIAGUASXHXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33FN2O/c1-26-10-20-39-35(22-26)36-23-31(17-21-40(36)45-39)44(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)43(4)28-13-11-27(42)12-14-28/h5-25H,1-4H3.
What are the key properties of 7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine?
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine has a molecular weight of 588.73 g/mol, XLogP of 11.58, 5 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-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine is sourced from PubChem (CID 23593180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).