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

C48H29FN2OS — CID 138716840

IUPACN-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H29FN2OS/c49-32-19-23-34(24-20-32)51-41-11-4-1-8-36(41)40-28-31(18-27-42(40)51)30-16-21-33(22-17-30)50(35-25-26-38-37-9-3-6-15-46(37)53-47(38)29-35)43-12-7-14-45-48(43)39-10-2-5-13-44(39)52-45/h1-29H
InChIKeyCZPHHIRIQCGHPZ-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.33
Rot. Bonds5

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

N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine (PubChem CID 138716840) has the molecular formula C48H29FN2OS and a molecular weight of 700.84 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
PubChem CID138716840
Molecular FormulaC48H29FN2OS
Molecular Weight700.84 g/mol
Exact Mass700.20
IUPAC NameN-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H29FN2OS/c49-32-19-23-34(24-20-32)51-41-11-4-1-8-36(41)40-28-31(18-27-42(40)51)30-16-21-33(22-17-30)50(35-25-26-38-37-9-3-6-15-46(37)53-47(38)29-35)43-12-7-14-45-48(43)39-10-2-5-13-44(39)52-45/h1-29H
InChIKeyCZPHHIRIQCGHPZ-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

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Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine (CID 138716840) is N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is CZPHHIRIQCGHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29FN2OS/c49-32-19-23-34(24-20-32)51-41-11-4-1-8-36(41)40-28-31(18-27-42(40)51)30-16-21-33(22-17-30)50(35-25-26-38-37-9-3-6-15-46(37)53-47(38)29-35)43-12-7-14-45-48(43)39-10-2-5-13-44(39)52-45/h1-29H.
What are the key properties of N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?
N-dibenzothiophen-3-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-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 138716840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).