2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole

C50H30N2S — CID 167243987

IUPAC2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)cc4c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C50H30N2S/c1-2-11-32-26-37(23-20-31(32)10-1)51-44-24-21-36(29-41(44)42-27-33-12-3-4-13-34(33)30-47(42)51)35-22-25-45-40(28-35)38-14-5-7-16-43(38)52(45)46-17-9-19-49-50(46)39-15-6-8-18-48(39)53-49/h1-30H
InChIKeyATFLAOLMQATSNR-UHFFFAOYSA-N
MW690.87 g/mol
LogP14.22
Rot. Bonds3

About 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole

2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole (PubChem CID 167243987) has the molecular formula C50H30N2S and a molecular weight of 690.87 g/mol. Its IUPAC name is 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole.

Molecular Properties

Compound Name2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
PubChem CID167243987
Molecular FormulaC50H30N2S
Molecular Weight690.87 g/mol
Exact Mass690.21
IUPAC Name2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)cc4c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C50H30N2S/c1-2-11-32-26-37(23-20-31(32)10-1)51-44-24-21-36(29-41(44)42-27-33-12-3-4-13-34(33)30-47(42)51)35-22-25-45-40(28-35)38-14-5-7-16-43(38)52(45)46-17-9-19-49-50(46)39-15-6-8-18-48(39)53-49/h1-30H
InChIKeyATFLAOLMQATSNR-UHFFFAOYSA-N
XLogP14.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.87
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243986
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243474
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole
CID 167243655
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165044715
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90310025

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole?
The IUPAC name of 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole (CID 167243987) is 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole.
What is the SMILES notation for 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole?
The canonical SMILES for 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole is c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)cc4c4cc5ccccc5cc43)ccc2c1.
What is the InChIKey of 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole?
The InChIKey is ATFLAOLMQATSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2S/c1-2-11-32-26-37(23-20-31(32)10-1)51-44-24-21-36(29-41(44)42-27-33-12-3-4-13-34(33)30-47(42)51)35-22-25-45-40(28-35)38-14-5-7-16-43(38)52(45)46-17-9-19-49-50(46)39-15-6-8-18-48(39)53-49/h1-30H.
What are the key properties of 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole?
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole has a molecular weight of 690.87 g/mol, XLogP of 14.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole is sourced from PubChem (CID 167243987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).