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

C42H25FN2OS — CID 138717118

IUPACN-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C42H25FN2OS/c43-26-19-21-27(22-20-26)44-33-12-4-1-9-29(33)32-25-28(23-24-34(32)44)45(35-13-7-16-38-41(35)30-10-2-5-15-37(30)46-38)36-14-8-18-40-42(36)31-11-3-6-17-39(31)47-40/h1-25H
InChIKeyVNISKZPHXCUHSO-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.66
Rot. Bonds4

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

N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine (PubChem CID 138717118) has the molecular formula C42H25FN2OS and a molecular weight of 624.74 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine
PubChem CID138717118
Molecular FormulaC42H25FN2OS
Molecular Weight624.74 g/mol
Exact Mass624.17
IUPAC NameN-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C42H25FN2OS/c43-26-19-21-27(22-20-26)44-33-12-4-1-9-29(33)32-25-28(23-24-34(32)44)45(35-13-7-16-38-41(35)30-10-2-5-15-37(30)46-38)36-14-8-18-40-42(36)31-11-3-6-17-39(31)47-40/h1-25H
InChIKeyVNISKZPHXCUHSO-UHFFFAOYSA-N
XLogP12.66
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine (CID 138717118) is N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine?
The InChIKey is VNISKZPHXCUHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25FN2OS/c43-26-19-21-27(22-20-26)44-33-12-4-1-9-29(33)32-25-28(23-24-34(32)44)45(35-13-7-16-38-41(35)30-10-2-5-15-37(30)46-38)36-14-8-18-40-42(36)31-11-3-6-17-39(31)47-40/h1-25H.
What are the key properties of N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine?
N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine has a molecular weight of 624.74 g/mol, XLogP of 12.66, 4 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-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine is sourced from PubChem (CID 138717118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).