N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine

C48H30FN3O — CID 138548991

IUPACN-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine
SMILESFc1cccc(-n2c3ccccc3c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4c4ccccc4n5-c4ccccc4)c32)c1
InChIInChI=1S/C48H30FN3O/c49-31-13-10-16-33(29-31)52-40-21-7-4-17-35(40)38-20-11-25-44(48(38)52)51(34-27-28-37-36-18-6-9-26-45(36)53-46(37)30-34)43-24-12-23-42-47(43)39-19-5-8-22-41(39)50(42)32-14-2-1-3-15-32/h1-30H
InChIKeyRXMSZOIXXNCPEZ-UHFFFAOYSA-N
MW683.79 g/mol
LogP13.39
Rot. Bonds5

About N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine

N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine (PubChem CID 138548991) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine
PubChem CID138548991
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC NameN-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine
SMILESFc1cccc(-n2c3ccccc3c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4c4ccccc4n5-c4ccccc4)c32)c1
InChIInChI=1S/C48H30FN3O/c49-31-13-10-16-33(29-31)52-40-21-7-4-17-35(40)38-20-11-25-44(48(38)52)51(34-27-28-37-36-18-6-9-26-45(36)53-46(37)30-34)43-24-12-23-42-47(43)39-19-5-8-22-41(39)50(42)32-14-2-1-3-15-32/h1-30H
InChIKeyRXMSZOIXXNCPEZ-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-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine (CID 138548991) is N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine is Fc1cccc(-n2c3ccccc3c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4c4ccccc4n5-c4ccccc4)c32)c1.
What is the InChIKey of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine?
The InChIKey is RXMSZOIXXNCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-31-13-10-16-33(29-31)52-40-21-7-4-17-35(40)38-20-11-25-44(48(38)52)51(34-27-28-37-36-18-6-9-26-45(36)53-46(37)30-34)43-24-12-23-42-47(43)39-19-5-8-22-41(39)50(42)32-14-2-1-3-15-32/h1-30H.
What are the key properties of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine?
N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-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-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine is sourced from PubChem (CID 138548991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).