2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole

C50H30N2S — CID 167243986

IUPAC2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C50H30N2S/c1-2-11-32-26-37(23-20-31(32)10-1)51-45-24-21-36(29-42(45)43-27-33-12-3-4-13-34(33)30-48(43)51)35-22-25-46-41(28-35)38-14-5-7-17-44(38)52(46)47-18-9-16-40-39-15-6-8-19-49(39)53-50(40)47/h1-30H
InChIKeyGHZSILJAJFVCAW-UHFFFAOYSA-N
MW690.87 g/mol
LogP14.22
Rot. Bonds3

About 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole

2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole (PubChem CID 167243986) has the molecular formula C50H30N2S and a molecular weight of 690.87 g/mol. Its IUPAC name is 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole.

Molecular Properties

Compound Name2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
PubChem CID167243986
Molecular FormulaC50H30N2S
Molecular Weight690.87 g/mol
Exact Mass690.21
IUPAC Name2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C50H30N2S/c1-2-11-32-26-37(23-20-31(32)10-1)51-45-24-21-36(29-42(45)43-27-33-12-3-4-13-34(33)30-48(43)51)35-22-25-46-41(28-35)38-14-5-7-17-44(38)52(46)47-18-9-16-40-39-15-6-8-19-49(39)53-50(40)47/h1-30H
InChIKeyGHZSILJAJFVCAW-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

5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243987
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 160623255
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-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole?
The IUPAC name of 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole (CID 167243986) is 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole.
What is the SMILES notation for 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole?
The canonical SMILES for 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole is c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c4cc5ccccc5cc43)ccc2c1.
What is the InChIKey of 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole?
The InChIKey is GHZSILJAJFVCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2S/c1-2-11-32-26-37(23-20-31(32)10-1)51-45-24-21-36(29-42(45)43-27-33-12-3-4-13-34(33)30-48(43)51)35-22-25-46-41(28-35)38-14-5-7-17-44(38)52(46)47-18-9-16-40-39-15-6-8-19-49(39)53-50(40)47/h1-30H.
What are the key properties of 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole?
2-(9-dibenzothiophen-4-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-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole is sourced from PubChem (CID 167243986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).