N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine

C48H30FN3O — CID 138548940

IUPACN-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1
InChIInChI=1S/C48H30FN3O/c49-31-18-20-33(21-19-31)51-44-16-8-5-13-38(44)41-28-34(23-26-45(41)51)50(35-24-27-48-42(29-35)40-14-6-9-17-47(40)53-48)36-22-25-39-37-12-4-7-15-43(37)52(46(39)30-36)32-10-2-1-3-11-32/h1-30H
InChIKeyQHDRZHTWYUTBBB-UHFFFAOYSA-N
MW683.79 g/mol
LogP13.39
Rot. Bonds5

About N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine

N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine (PubChem CID 138548940) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine
PubChem CID138548940
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC NameN-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1
InChIInChI=1S/C48H30FN3O/c49-31-18-20-33(21-19-31)51-44-16-8-5-13-38(44)41-28-34(23-26-45(41)51)50(35-24-27-48-42(29-35)40-14-6-9-17-47(40)53-48)36-22-25-39-37-12-4-7-15-43(37)52(46(39)30-36)32-10-2-1-3-11-32/h1-30H
InChIKeyQHDRZHTWYUTBBB-UHFFFAOYSA-N
XLogP13.39
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine (CID 138548940) is N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine?
The InChIKey is QHDRZHTWYUTBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-31-18-20-33(21-19-31)51-44-16-8-5-13-38(44)41-28-34(23-26-45(41)51)50(35-24-27-48-42(29-35)40-14-6-9-17-47(40)53-48)36-22-25-39-37-12-4-7-15-43(37)52(46(39)30-36)32-10-2-1-3-11-32/h1-30H.
What are the key properties of N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine?
N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine has a molecular weight of 683.79 g/mol, XLogP of 13.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine is sourced from PubChem (CID 138548940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).