8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine

C44H28N2S — CID 90372254

IUPAC8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine
SMILESc1ccc2c(N(c3ccc4c(c3)sc3ccc(-n5c6ccccc6c6ccccc65)cc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C44H28N2S/c1-3-15-33-29(11-1)13-9-21-39(33)46(40-22-10-14-30-12-2-4-16-34(30)40)32-23-25-37-38-27-31(24-26-43(38)47-44(37)28-32)45-41-19-7-5-17-35(41)36-18-6-8-20-42(36)45/h1-28H
InChIKeySXRXEIZAIQIZQH-UHFFFAOYSA-N
MW616.79 g/mol
LogP12.93
Rot. Bonds4

About 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine

8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine (PubChem CID 90372254) has the molecular formula C44H28N2S and a molecular weight of 616.79 g/mol. Its IUPAC name is 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine.

Molecular Properties

Compound Name8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine
PubChem CID90372254
Molecular FormulaC44H28N2S
Molecular Weight616.79 g/mol
Exact Mass616.20
IUPAC Name8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine
SMILESc1ccc2c(N(c3ccc4c(c3)sc3ccc(-n5c6ccccc6c6ccccc65)cc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C44H28N2S/c1-3-15-33-29(11-1)13-9-21-39(33)46(40-22-10-14-30-12-2-4-16-34(30)40)32-23-25-37-38-27-31(24-26-43(38)47-44(37)28-32)45-41-19-7-5-17-35(41)36-18-6-8-20-42(36)45/h1-28H
InChIKeySXRXEIZAIQIZQH-UHFFFAOYSA-N
XLogP12.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.79
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249
N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine
CID 163689901
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
CID 164732018
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 164794957

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine?
The IUPAC name of 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine (CID 90372254) is 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine.
What is the SMILES notation for 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine?
The canonical SMILES for 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine is c1ccc2c(N(c3ccc4c(c3)sc3ccc(-n5c6ccccc6c6ccccc65)cc34)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine?
The InChIKey is SXRXEIZAIQIZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S/c1-3-15-33-29(11-1)13-9-21-39(33)46(40-22-10-14-30-12-2-4-16-34(30)40)32-23-25-37-38-27-31(24-26-43(38)47-44(37)28-32)45-41-19-7-5-17-35(41)36-18-6-8-20-42(36)45/h1-28H.
What are the key properties of 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine?
8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine has a molecular weight of 616.79 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine is sourced from PubChem (CID 90372254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).