N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine

C49H33FN2O — CID 138716959

IUPACN-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(F)cc6)cc5)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C49H33FN2O/c1-32-13-24-40(25-14-32)52-44-9-4-2-7-41(44)43-31-36(21-30-45(43)52)35-19-28-39(29-20-35)51(38-26-17-34(18-27-38)33-15-22-37(50)23-16-33)46-10-6-12-48-49(46)42-8-3-5-11-47(42)53-48/h2-31H,1H3
InChIKeyFXLKVLWAEZDYNJ-UHFFFAOYSA-N
MW684.81 g/mol
LogP13.93
Rot. Bonds6

About N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine

N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine (PubChem CID 138716959) has the molecular formula C49H33FN2O and a molecular weight of 684.81 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
PubChem CID138716959
Molecular FormulaC49H33FN2O
Molecular Weight684.81 g/mol
Exact Mass684.26
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(F)cc6)cc5)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C49H33FN2O/c1-32-13-24-40(25-14-32)52-44-9-4-2-7-41(44)43-31-36(21-30-45(43)52)35-19-28-39(29-20-35)51(38-26-17-34(18-27-38)33-15-22-37(50)23-16-33)46-10-6-12-48-49(46)42-8-3-5-11-47(42)53-48/h2-31H,1H3
InChIKeyFXLKVLWAEZDYNJ-UHFFFAOYSA-N
XLogP13.93
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.81
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine (CID 138716959) is N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(F)cc6)cc5)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is FXLKVLWAEZDYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33FN2O/c1-32-13-24-40(25-14-32)52-44-9-4-2-7-41(44)43-31-36(21-30-45(43)52)35-19-28-39(29-20-35)51(38-26-17-34(18-27-38)33-15-22-37(50)23-16-33)46-10-6-12-48-49(46)42-8-3-5-11-47(42)53-48/h2-31H,1H3.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine has a molecular weight of 684.81 g/mol, XLogP of 13.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 138716959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).