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

C48H30FN3O — CID 138549041

IUPACN-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
SMILESFc1cccc(-n2c3ccccc3c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)c1
InChIInChI=1S/C48H30FN3O/c49-31-11-10-14-33(27-31)52-44-19-8-5-16-38(44)40-25-22-36(30-46(40)52)50(34-23-26-48-42(28-34)41-17-6-9-20-47(41)53-48)35-21-24-39-37-15-4-7-18-43(37)51(45(39)29-35)32-12-2-1-3-13-32/h1-30H
InChIKeyVQRPFLFCSQWABF-UHFFFAOYSA-N
MW683.79 g/mol
LogP13.39
Rot. Bonds5

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

N-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine (PubChem CID 138549041) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
PubChem CID138549041
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC NameN-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
SMILESFc1cccc(-n2c3ccccc3c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)c1
InChIInChI=1S/C48H30FN3O/c49-31-11-10-14-33(27-31)52-44-19-8-5-16-38(44)40-25-22-36(30-46(40)52)50(34-23-26-48-42(28-34)41-17-6-9-20-47(41)53-48)35-21-24-39-37-15-4-7-18-43(37)51(45(39)29-35)32-12-2-1-3-13-32/h1-30H
InChIKeyVQRPFLFCSQWABF-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-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine (CID 138549041) is N-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine is Fc1cccc(-n2c3ccccc3c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)c1.
What is the InChIKey of N-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine?
The InChIKey is VQRPFLFCSQWABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-31-11-10-14-33(27-31)52-44-19-8-5-16-38(44)40-25-22-36(30-46(40)52)50(34-23-26-48-42(28-34)41-17-6-9-20-47(41)53-48)35-21-24-39-37-15-4-7-18-43(37)51(45(39)29-35)32-12-2-1-3-13-32/h1-30H.
What are the key properties of N-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine?
N-dibenzofuran-2-yl-N-[9-(3-fluorophenyl)carbazol-2-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-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine is sourced from PubChem (CID 138549041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).