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

C42H25FN2OS — CID 138717115

IUPACN-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C42H25FN2OS/c43-26-16-18-27(19-17-26)45-35-11-4-1-8-30(35)34-24-28(21-23-36(34)45)44(29-20-22-32-31-9-3-6-15-40(31)47-41(32)25-29)37-12-7-14-39-42(37)33-10-2-5-13-38(33)46-39/h1-25H
InChIKeyPXTVTSJDDCSPIP-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.66
Rot. Bonds4

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

N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine (PubChem CID 138717115) has the molecular formula C42H25FN2OS and a molecular weight of 624.74 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine
PubChem CID138717115
Molecular FormulaC42H25FN2OS
Molecular Weight624.74 g/mol
Exact Mass624.17
IUPAC NameN-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C42H25FN2OS/c43-26-16-18-27(19-17-26)45-35-11-4-1-8-30(35)34-24-28(21-23-36(34)45)44(29-20-22-32-31-9-3-6-15-40(31)47-41(32)25-29)37-12-7-14-39-42(37)33-10-2-5-13-38(33)46-39/h1-25H
InChIKeyPXTVTSJDDCSPIP-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

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine (CID 138717115) is N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine?
The InChIKey is PXTVTSJDDCSPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25FN2OS/c43-26-16-18-27(19-17-26)45-35-11-4-1-8-30(35)34-24-28(21-23-36(34)45)44(29-20-22-32-31-9-3-6-15-40(31)47-41(32)25-29)37-12-7-14-39-42(37)33-10-2-5-13-38(33)46-39/h1-25H.
What are the key properties of N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine?
N-dibenzofuran-1-yl-N-dibenzothiophen-3-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-3-yl-9-(4-fluorophenyl)carbazol-3-amine is sourced from PubChem (CID 138717115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).