1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine

C44H28N2S — CID 154697134

IUPAC1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine
SMILESc1ccc2cc(N(c3ccc4ccccc4c3)c3cc(-c4cccc5sc6ccccc6c45)c4[nH]c5ccccc5c4c3)ccc2c1
InChIInChI=1S/C44H28N2S/c1-3-12-30-24-32(22-20-28(30)10-1)46(33-23-21-29-11-2-4-13-31(29)25-33)34-26-38-35-14-5-7-17-40(35)45-44(38)39(27-34)36-16-9-19-42-43(36)37-15-6-8-18-41(37)47-42/h1-27,45H
InChIKeyZLIDFGVUTCLMIH-UHFFFAOYSA-N
MW616.79 g/mol
LogP13.13
Rot. Bonds4

About 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine

1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine (PubChem CID 154697134) has the molecular formula C44H28N2S and a molecular weight of 616.79 g/mol. Its IUPAC name is 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine
PubChem CID154697134
Molecular FormulaC44H28N2S
Molecular Weight616.79 g/mol
Exact Mass616.20
IUPAC Name1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine
SMILESc1ccc2cc(N(c3ccc4ccccc4c3)c3cc(-c4cccc5sc6ccccc6c45)c4[nH]c5ccccc5c4c3)ccc2c1
InChIInChI=1S/C44H28N2S/c1-3-12-30-24-32(22-20-28(30)10-1)46(33-23-21-29-11-2-4-13-31(29)25-33)34-26-38-35-14-5-7-17-40(35)45-44(38)39(27-34)36-16-9-19-42-43(36)37-15-6-8-18-41(37)47-42/h1-27,45H
InChIKeyZLIDFGVUTCLMIH-UHFFFAOYSA-N
XLogP13.13
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.79
LogP ≤ 513.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine
CID 154697120
8-(9H-carbazol-1-yl)-N,N-dinaphthalen-2-yldibenzothiophen-2-amine
CID 154697158
N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697274
8-dibenzothiophen-1-yl-7H-benzo[c]carbazole
CID 142570089
1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697226
8-(9H-carbazol-1-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 154697151
8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine
CID 154697104
1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697176
N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine
CID 169302985
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282
N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-2-amine
CID 176630528
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine?
The IUPAC name of 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine (CID 154697134) is 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine.
What is the SMILES notation for 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine?
The canonical SMILES for 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine is c1ccc2cc(N(c3ccc4ccccc4c3)c3cc(-c4cccc5sc6ccccc6c45)c4[nH]c5ccccc5c4c3)ccc2c1.
What is the InChIKey of 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine?
The InChIKey is ZLIDFGVUTCLMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S/c1-3-12-30-24-32(22-20-28(30)10-1)46(33-23-21-29-11-2-4-13-31(29)25-33)34-26-38-35-14-5-7-17-40(35)45-44(38)39(27-34)36-16-9-19-42-43(36)37-15-6-8-18-41(37)47-42/h1-27,45H.
What are the key properties of 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine?
1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine has a molecular weight of 616.79 g/mol, XLogP of 13.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine is sourced from PubChem (CID 154697134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).