N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine

C38H23FN2OS — CID 155135369

IUPACN-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)oc4c6ccccc6sc54)ccc32)cc1
InChIInChI=1S/C38H23FN2OS/c39-24-14-16-26(17-15-24)41-33-12-6-4-10-29(33)32-22-27(19-21-34(32)41)40(25-8-2-1-3-9-25)28-18-20-30-35(23-28)42-37-31-11-5-7-13-36(31)43-38(30)37/h1-23H
InChIKeyMABKKFYLZBGQIV-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.51
Rot. Bonds4

About N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine

N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine (PubChem CID 155135369) has the molecular formula C38H23FN2OS and a molecular weight of 574.68 g/mol. Its IUPAC name is N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
PubChem CID155135369
Molecular FormulaC38H23FN2OS
Molecular Weight574.68 g/mol
Exact Mass574.15
IUPAC NameN-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)oc4c6ccccc6sc54)ccc32)cc1
InChIInChI=1S/C38H23FN2OS/c39-24-14-16-26(17-15-24)41-33-12-6-4-10-29(33)32-22-27(19-21-34(32)41)40(25-8-2-1-3-9-25)28-18-20-30-35(23-28)42-37-31-11-5-7-13-36(31)43-38(30)37/h1-23H
InChIKeyMABKKFYLZBGQIV-UHFFFAOYSA-N
XLogP11.51
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
The IUPAC name of N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine (CID 155135369) is N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine.
What is the SMILES notation for N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
The canonical SMILES for N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)oc4c6ccccc6sc54)ccc32)cc1.
What is the InChIKey of N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
The InChIKey is MABKKFYLZBGQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23FN2OS/c39-24-14-16-26(17-15-24)41-33-12-6-4-10-29(33)32-22-27(19-21-34(32)41)40(25-8-2-1-3-9-25)28-18-20-30-35(23-28)42-37-31-11-5-7-13-36(31)43-38(30)37/h1-23H.
What are the key properties of N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine has a molecular weight of 574.68 g/mol, XLogP of 11.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine is sourced from PubChem (CID 155135369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).