3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine

C38H27FN2O2 — CID 23593209

IUPAC3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc(N(C)c6ccc(F)cc6)ccc45)cc3c2c1
InChIInChI=1S/C38H27FN2O2/c1-24-8-18-35-33(20-24)34-21-29(15-19-36(34)42-35)41(27-6-4-3-5-7-27)30-14-17-32-31-16-13-28(22-37(31)43-38(32)23-30)40(2)26-11-9-25(39)10-12-26/h3-23H,1-2H3
InChIKeyUJPQVCGYRYPEBT-UHFFFAOYSA-N
MW562.64 g/mol
LogP11.17
Rot. Bonds5

About 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine

3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine (PubChem CID 23593209) has the molecular formula C38H27FN2O2 and a molecular weight of 562.64 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine
PubChem CID23593209
Molecular FormulaC38H27FN2O2
Molecular Weight562.64 g/mol
Exact Mass562.21
IUPAC Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc(N(C)c6ccc(F)cc6)ccc45)cc3c2c1
InChIInChI=1S/C38H27FN2O2/c1-24-8-18-35-33(20-24)34-21-29(15-19-36(34)42-35)41(27-6-4-3-5-7-27)30-14-17-32-31-16-13-28(22-37(31)43-38(32)23-30)40(2)26-11-9-25(39)10-12-26/h3-23H,1-2H3
InChIKeyUJPQVCGYRYPEBT-UHFFFAOYSA-N
XLogP11.17
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.64
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)dibenzofuran-1-amine
CID 137657141
N-(4-(2-(6-Dimethylamino)benzofuranyl)phenyl)maleimide
CID 127759
N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine
CID 22664173
7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine
CID 23593088
7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593098
N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine
CID 23593121
N-(4-fluorophenyl)-N,7-dimethyldibenzofuran-3-amine
CID 23593175
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-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine
CID 23593205
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)dibenzofuran-3,7-diamine
CID 23593206

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine (CID 23593209) is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine is Cc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc(N(C)c6ccc(F)cc6)ccc45)cc3c2c1.
What is the InChIKey of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine?
The InChIKey is UJPQVCGYRYPEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27FN2O2/c1-24-8-18-35-33(20-24)34-21-29(15-19-36(34)42-35)41(27-6-4-3-5-7-27)30-14-17-32-31-16-13-28(22-37(31)43-38(32)23-30)40(2)26-11-9-25(39)10-12-26/h3-23H,1-2H3.
What are the key properties of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine?
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine has a molecular weight of 562.64 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine is sourced from PubChem (CID 23593209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).