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

C42H27FN2O — CID 138716971

IUPACN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C42H27FN2O/c43-30-20-24-33(25-21-30)45-37-13-6-4-11-34(37)36-27-29(19-26-38(36)45)28-17-22-32(23-18-28)44(31-9-2-1-3-10-31)39-14-8-16-41-42(39)35-12-5-7-15-40(35)46-41/h1-27H
InChIKeyGBGIFQXYSPADGM-UHFFFAOYSA-N
MW594.69 g/mol
LogP11.96
Rot. Bonds5

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

N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine (PubChem CID 138716971) has the molecular formula C42H27FN2O and a molecular weight of 594.69 g/mol. Its IUPAC name is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine
PubChem CID138716971
Molecular FormulaC42H27FN2O
Molecular Weight594.69 g/mol
Exact Mass594.21
IUPAC NameN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C42H27FN2O/c43-30-20-24-33(25-21-30)45-37-13-6-4-11-34(37)36-27-29(19-26-38(36)45)28-17-22-32(23-18-28)44(31-9-2-1-3-10-31)39-14-8-16-41-42(39)35-12-5-7-15-40(35)46-41/h1-27H
InChIKeyGBGIFQXYSPADGM-UHFFFAOYSA-N
XLogP11.96
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.69
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine (CID 138716971) is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine?
The InChIKey is GBGIFQXYSPADGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27FN2O/c43-30-20-24-33(25-21-30)45-37-13-6-4-11-34(37)36-27-29(19-26-38(36)45)28-17-22-32(23-18-28)44(31-9-2-1-3-10-31)39-14-8-16-41-42(39)35-12-5-7-15-40(35)46-41/h1-27H.
What are the key properties of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine?
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine has a molecular weight of 594.69 g/mol, XLogP of 11.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 138716971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).