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

C48H29FN2OS — CID 138716968

IUPACN-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5sc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H29FN2OS/c49-32-22-26-34(27-23-32)50-40-13-4-1-9-35(40)39-29-31(21-28-41(39)50)30-19-24-33(25-20-30)51(42-14-8-17-45-47(42)38-11-2-5-16-44(38)52-45)43-15-7-12-37-36-10-3-6-18-46(36)53-48(37)43/h1-29H
InChIKeyMPBWVCVLPOJDSY-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.33
Rot. Bonds5

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

N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine (PubChem CID 138716968) has the molecular formula C48H29FN2OS and a molecular weight of 700.84 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
PubChem CID138716968
Molecular FormulaC48H29FN2OS
Molecular Weight700.84 g/mol
Exact Mass700.20
IUPAC NameN-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5sc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H29FN2OS/c49-32-22-26-34(27-23-32)50-40-13-4-1-9-35(40)39-29-31(21-28-41(39)50)30-19-24-33(25-20-30)51(42-14-8-17-45-47(42)38-11-2-5-16-44(38)52-45)43-15-7-12-37-36-10-3-6-18-46(36)53-48(37)43/h1-29H
InChIKeyMPBWVCVLPOJDSY-UHFFFAOYSA-N
XLogP14.33
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-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-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine (CID 138716968) is N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5sc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is MPBWVCVLPOJDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29FN2OS/c49-32-22-26-34(27-23-32)50-40-13-4-1-9-35(40)39-29-31(21-28-41(39)50)30-19-24-33(25-20-30)51(42-14-8-17-45-47(42)38-11-2-5-16-44(38)52-45)43-15-7-12-37-36-10-3-6-18-46(36)53-48(37)43/h1-29H.
What are the key properties of N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine has a molecular weight of 700.84 g/mol, XLogP of 14.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 138716968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).