3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine

C38H29FN2O — CID 23593215

IUPAC3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(F)cc5)ccc34)cc2)cc1
InChIInChI=1S/C38H29FN2O/c1-26-8-10-27(11-9-26)28-12-16-32(17-13-28)41(31-6-4-3-5-7-31)34-21-23-36-35-22-20-33(24-37(35)42-38(36)25-34)40(2)30-18-14-29(39)15-19-30/h3-25H,1-2H3
InChIKeyQNHITUXZHXDAGA-UHFFFAOYSA-N
MW548.66 g/mol
LogP10.94
Rot. Bonds6

About 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine

3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine (PubChem CID 23593215) has the molecular formula C38H29FN2O and a molecular weight of 548.66 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine
PubChem CID23593215
Molecular FormulaC38H29FN2O
Molecular Weight548.66 g/mol
Exact Mass548.23
IUPAC Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(F)cc5)ccc34)cc2)cc1
InChIInChI=1S/C38H29FN2O/c1-26-8-10-27(11-9-26)28-12-16-32(17-13-28)41(31-6-4-3-5-7-31)34-21-23-36-35-22-20-33(24-37(35)42-38(36)25-34)40(2)30-18-14-29(39)15-19-30/h3-25H,1-2H3
InChIKeyQNHITUXZHXDAGA-UHFFFAOYSA-N
XLogP10.94
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.66
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-3-dibenzofuranyl-
CID 22087
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CID 2913552
N-(3-dibenzofuranyl)-2-methylpropanamide
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1,3,3-Trimethyl-3,4-dihydrobenzofuro[2,3-f]quinoline
CID 15458736
N-dibenzofuran-3-ylpentanamide
CID 4055978
Ethanone, 1-(4-fluorophenyl)-2-(3-dibenzofuranylamino)-
CID 607375
N-phenyl-1-Dibenzofuranamine
CID 71079236
N-3-Dibenzofuranyl-2,2,2-trifluoroacetamide
CID 3098056
[4-(4-Benzoylpiperazin-1-yl)phenyl]-[6-(diethylamino)-1-benzofuran-2-yl]methanone
CID 127051130
N-(3,5-dimethylphenyl)dibenzofuran-1-amine
CID 137657141
N-[(1R)-1-deuterio-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-1-phenylethyl]-N-dibenzofuran-3-yl-2-oxopropanamide
CID 177371638

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine (CID 23593215) is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine is Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(F)cc5)ccc34)cc2)cc1.
What is the InChIKey of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine?
The InChIKey is QNHITUXZHXDAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29FN2O/c1-26-8-10-27(11-9-26)28-12-16-32(17-13-28)41(31-6-4-3-5-7-31)34-21-23-36-35-22-20-33(24-37(35)42-38(36)25-34)40(2)30-18-14-29(39)15-19-30/h3-25H,1-2H3.
What are the key properties of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine?
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine has a molecular weight of 548.66 g/mol, XLogP of 10.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine is sourced from PubChem (CID 23593215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).