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

C48H30FN3O — CID 138549045

IUPACN-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
SMILESFc1cccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4c4ccccc4n5-c4ccccc4)cc32)c1
InChIInChI=1S/C48H30FN3O/c49-31-12-10-15-33(28-31)52-41-19-7-4-16-36(41)37-26-24-34(29-45(37)52)50(35-25-27-39-38-17-6-9-23-46(38)53-47(39)30-35)43-21-11-22-44-48(43)40-18-5-8-20-42(40)51(44)32-13-2-1-3-14-32/h1-30H
InChIKeyPRGJAMHBWYFBSQ-UHFFFAOYSA-N
MW683.79 g/mol
LogP13.39
Rot. Bonds5

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

N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine (PubChem CID 138549045) 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-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
PubChem CID138549045
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC NameN-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
SMILESFc1cccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4c4ccccc4n5-c4ccccc4)cc32)c1
InChIInChI=1S/C48H30FN3O/c49-31-12-10-15-33(28-31)52-41-19-7-4-16-36(41)37-26-24-34(29-45(37)52)50(35-25-27-39-38-17-6-9-23-46(38)53-47(39)30-35)43-21-11-22-44-48(43)40-18-5-8-20-42(40)51(44)32-13-2-1-3-14-32/h1-30H
InChIKeyPRGJAMHBWYFBSQ-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-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine (CID 138549045) is N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine is Fc1cccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4c4ccccc4n5-c4ccccc4)cc32)c1.
What is the InChIKey of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The InChIKey is PRGJAMHBWYFBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-31-12-10-15-33(28-31)52-41-19-7-4-16-36(41)37-26-24-34(29-45(37)52)50(35-25-27-39-38-17-6-9-23-46(38)53-47(39)30-35)43-21-11-22-44-48(43)40-18-5-8-20-42(40)51(44)32-13-2-1-3-14-32/h1-30H.
What are the key properties of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-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-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine is sourced from PubChem (CID 138549045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).