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

C48H29FN2O2 — CID 138717016

IUPACN-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H29FN2O2/c49-32-19-23-34(24-20-32)51-41-11-4-1-8-36(41)40-28-31(18-27-42(40)51)30-16-21-33(22-17-30)50(35-25-26-38-37-9-2-5-13-44(37)53-47(38)29-35)43-12-7-15-46-48(43)39-10-3-6-14-45(39)52-46/h1-29H
InChIKeyOFMWITMAAQYYFG-UHFFFAOYSA-N
MW684.77 g/mol
LogP13.86
Rot. Bonds5

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

N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine (PubChem CID 138717016) has the molecular formula C48H29FN2O2 and a molecular weight of 684.77 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine
PubChem CID138717016
Molecular FormulaC48H29FN2O2
Molecular Weight684.77 g/mol
Exact Mass684.22
IUPAC NameN-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H29FN2O2/c49-32-19-23-34(24-20-32)51-41-11-4-1-8-36(41)40-28-31(18-27-42(40)51)30-16-21-33(22-17-30)50(35-25-26-38-37-9-2-5-13-44(37)53-47(38)29-35)43-12-7-15-46-48(43)39-10-3-6-14-45(39)52-46/h1-29H
InChIKeyOFMWITMAAQYYFG-UHFFFAOYSA-N
XLogP13.86
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.77
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine (CID 138717016) is N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is OFMWITMAAQYYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29FN2O2/c49-32-19-23-34(24-20-32)51-41-11-4-1-8-36(41)40-28-31(18-27-42(40)51)30-16-21-33(22-17-30)50(35-25-26-38-37-9-2-5-13-44(37)53-47(38)29-35)43-12-7-15-46-48(43)39-10-3-6-14-45(39)52-46/h1-29H.
What are the key properties of N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine?
N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 684.77 g/mol, XLogP of 13.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 138717016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).