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

C44H27FN2OS — CID 155135583

IUPACN-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4c6ccccc6sc54)ccc32)cc1
InChIInChI=1S/C44H27FN2OS/c45-30-16-20-32(21-17-30)47-39-12-6-4-10-35(39)38-26-33(23-25-40(38)47)46(31-18-14-29(15-19-31)28-8-2-1-3-9-28)34-22-24-36-41(27-34)48-43-37-11-5-7-13-42(37)49-44(36)43/h1-27H
InChIKeyDZEAGWNIOLWIAS-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.17
Rot. Bonds5

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

N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 155135583) has the molecular formula C44H27FN2OS and a molecular weight of 650.78 g/mol. Its IUPAC name is N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID155135583
Molecular FormulaC44H27FN2OS
Molecular Weight650.78 g/mol
Exact Mass650.18
IUPAC NameN-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4c6ccccc6sc54)ccc32)cc1
InChIInChI=1S/C44H27FN2OS/c45-30-16-20-32(21-17-30)47-39-12-6-4-10-35(39)38-26-33(23-25-40(38)47)46(31-18-14-29(15-19-31)28-8-2-1-3-9-28)34-22-24-36-41(27-34)48-43-37-11-5-7-13-42(37)49-44(36)43/h1-27H
InChIKeyDZEAGWNIOLWIAS-UHFFFAOYSA-N
XLogP13.17
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.17
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-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine (CID 155135583) is N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4c6ccccc6sc54)ccc32)cc1.
What is the InChIKey of N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is DZEAGWNIOLWIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27FN2OS/c45-30-16-20-32(21-17-30)47-39-12-6-4-10-35(39)38-26-33(23-25-40(38)47)46(31-18-14-29(15-19-31)28-8-2-1-3-9-28)34-22-24-36-41(27-34)48-43-37-11-5-7-13-42(37)49-44(36)43/h1-27H.
What are the key properties of N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine?
N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 650.78 g/mol, XLogP of 13.17, 5 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-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 155135583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).