9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole

C48H32N2S — CID 166952379

IUPAC9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
SMILESC1=c2c(n(-c3cccc(-c4ccccc4)c3)c3ccccc23)=CCC1c1ccc2c(c1)c1ccccc1n2-c1cccc2sc3ccccc3c12
InChIInChI=1S/C48H32N2S/c1-2-12-31(13-3-1)32-14-10-15-35(28-32)49-41-19-7-4-16-36(41)39-29-33(24-26-43(39)49)34-25-27-44-40(30-34)37-17-5-8-20-42(37)50(44)45-21-11-23-47-48(45)38-18-6-9-22-46(38)51-47/h1-23,25-30,33H,24H2
InChIKeyUOGADDOJKCOZCZ-UHFFFAOYSA-N
MW668.87 g/mol
LogP11.51
Rot. Bonds4

About 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole

9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole (PubChem CID 166952379) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
PubChem CID166952379
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
SMILESC1=c2c(n(-c3cccc(-c4ccccc4)c3)c3ccccc23)=CCC1c1ccc2c(c1)c1ccccc1n2-c1cccc2sc3ccccc3c12
InChIInChI=1S/C48H32N2S/c1-2-12-31(13-3-1)32-14-10-15-35(28-32)49-41-19-7-4-16-36(41)39-29-33(24-26-43(39)49)34-25-27-44-40(30-34)37-17-5-8-20-42(37)50(44)45-21-11-23-47-48(45)38-18-6-9-22-46(38)51-47/h1-23,25-30,33H,24H2
InChIKeyUOGADDOJKCOZCZ-UHFFFAOYSA-N
XLogP11.51
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzothiophen-1-yl-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961335
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
CID 174277781
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638
3-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzofuran-1-ylcarbazole;3-(3-carbazol-9-yl-5-phenylphenyl)-9-dibenzofuran-1-ylcarbazole;3-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzothiophen-1-ylcarbazole
CID 159327948
9-dibenzothiophen-1-yl-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961037
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 167043312
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243474
5-cyclohexa-2,4-dien-1-yl-2-[8-(9-phenyl-2,3-dihydrocarbazol-3-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-c]carbazole
CID 142347167

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole (CID 166952379) is 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole is C1=c2c(n(-c3cccc(-c4ccccc4)c3)c3ccccc23)=CCC1c1ccc2c(c1)c1ccccc1n2-c1cccc2sc3ccccc3c12.
What is the InChIKey of 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole?
The InChIKey is UOGADDOJKCOZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-2-12-31(13-3-1)32-14-10-15-35(28-32)49-41-19-7-4-16-36(41)39-29-33(24-26-43(39)49)34-25-27-44-40(30-34)37-17-5-8-20-42(37)50(44)45-21-11-23-47-48(45)38-18-6-9-22-46(38)51-47/h1-23,25-30,33H,24H2.
What are the key properties of 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole?
9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole has a molecular weight of 668.87 g/mol, XLogP of 11.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 166952379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).