N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine

C30H20N2S — CID 126621948

IUPACN-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)sc1ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc12
InChIInChI=1S/C30H20N2S/c1-4-10-27-23(7-1)24-8-2-5-11-28(24)32(27)22-16-13-20(14-17-22)31-21-15-18-30-26(19-21)25-9-3-6-12-29(25)33-30/h1-19,31H
InChIKeyGVTHREIEJUYHPJ-UHFFFAOYSA-N
MW440.57 g/mol
LogP8.90
Rot. Bonds3

About N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine

N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine (PubChem CID 126621948) has the molecular formula C30H20N2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
PubChem CID126621948
Molecular FormulaC30H20N2S
Molecular Weight440.57 g/mol
Exact Mass440.13
IUPAC NameN-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)sc1ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc12
InChIInChI=1S/C30H20N2S/c1-4-10-27-23(7-1)24-8-2-5-11-28(24)32(27)22-16-13-20(14-17-22)31-21-15-18-30-26(19-21)25-9-3-6-12-29(25)33-30/h1-19,31H
InChIKeyGVTHREIEJUYHPJ-UHFFFAOYSA-N
XLogP8.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 170287242
dibenzothiophene;9-phenylcarbazole
CID 142415981
N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 126700453
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
CID 144619443
CID 144619443
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine (CID 126621948) is N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine is c1ccc2c(c1)sc1ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc12.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is GVTHREIEJUYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S/c1-4-10-27-23(7-1)24-8-2-5-11-28(24)32(27)22-16-13-20(14-17-22)31-21-15-18-30-26(19-21)25-9-3-6-12-29(25)33-30/h1-19,31H.
What are the key properties of N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine?
N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 440.57 g/mol, XLogP of 8.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 126621948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).