N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine

C40H26N2S — CID 170287242

IUPACN-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine
SMILESc1cc(Nc2ccc3sc4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C40H26N2S/c1-2-9-28-23-32(19-16-26(28)8-1)42-37-14-5-3-12-33(37)34-20-17-29(24-38(34)42)27-10-7-11-30(22-27)41-31-18-21-40-36(25-31)35-13-4-6-15-39(35)43-40/h1-25,41H
InChIKeySCFBQLSZHHTTAE-UHFFFAOYSA-N
MW566.73 g/mol
LogP11.72
Rot. Bonds4

About N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine

N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 170287242) has the molecular formula C40H26N2S and a molecular weight of 566.73 g/mol. Its IUPAC name is N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine
PubChem CID170287242
Molecular FormulaC40H26N2S
Molecular Weight566.73 g/mol
Exact Mass566.18
IUPAC NameN-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine
SMILESc1cc(Nc2ccc3sc4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C40H26N2S/c1-2-9-28-23-32(19-16-26(28)8-1)42-37-14-5-3-12-33(37)34-20-17-29(24-38(34)42)27-10-7-11-30(22-27)41-31-18-21-40-36(25-31)35-13-4-6-15-39(35)43-40/h1-25,41H
InChIKeySCFBQLSZHHTTAE-UHFFFAOYSA-N
XLogP11.72
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.73
LogP ≤ 511.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-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

2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole
CID 130232567
N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 126621948
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9-naphthalen-2-ylcarbazole
CID 163886851
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[6-(2-dibenzothiophen-2-ylcarbazol-9-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 126632178
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029
9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole
CID 59220859
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146577847
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243986

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine (CID 170287242) is N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine is c1cc(Nc2ccc3sc4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c1.
What is the InChIKey of N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is SCFBQLSZHHTTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2S/c1-2-9-28-23-32(19-16-26(28)8-1)42-37-14-5-3-12-33(37)34-20-17-29(24-38(34)42)27-10-7-11-30(22-27)41-31-18-21-40-36(25-31)35-13-4-6-15-39(35)43-40/h1-25,41H.
What are the key properties of N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine?
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 566.73 g/mol, XLogP of 11.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 170287242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).