N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine

C48H29FN2OS — CID 168814321

IUPACN-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6c5oc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C48H29FN2OS/c49-32-19-23-34(24-20-32)51-42-12-4-1-8-36(42)37-26-18-31(28-44(37)51)30-16-21-33(22-17-30)50(35-25-27-40-39-10-3-6-15-46(39)53-47(40)29-35)43-13-7-11-41-38-9-2-5-14-45(38)52-48(41)43/h1-29H
InChIKeyKNZVEJFRWUVBGE-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.33
Rot. Bonds5

About N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine

N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine (PubChem CID 168814321) 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-2-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine
PubChem CID168814321
Molecular FormulaC48H29FN2OS
Molecular Weight700.84 g/mol
Exact Mass700.20
IUPAC NameN-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6c5oc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C48H29FN2OS/c49-32-19-23-34(24-20-32)51-42-12-4-1-8-36(42)37-26-18-31(28-44(37)51)30-16-21-33(22-17-30)50(35-25-27-40-39-10-3-6-15-46(39)53-47(40)29-35)43-13-7-11-41-38-9-2-5-14-45(38)52-48(41)43/h1-29H
InChIKeyKNZVEJFRWUVBGE-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-2-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine (CID 168814321) is N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine is Fc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6c5oc5ccccc56)cc4)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is KNZVEJFRWUVBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29FN2OS/c49-32-19-23-34(24-20-32)51-42-12-4-1-8-36(42)37-26-18-31(28-44(37)51)30-16-21-33(22-17-30)50(35-25-27-40-39-10-3-6-15-46(39)53-47(40)29-35)43-13-7-11-41-38-9-2-5-14-45(38)52-48(41)43/h1-29H.
What are the key properties of N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine?
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-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-2-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 168814321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).