9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole

C39H24N2S — CID 129225578

IUPAC9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C39H24N2S/c1-2-12-25(13-3-1)31-24-35(40-34-18-8-4-14-27(31)34)33-23-26(22-32-30-17-7-11-21-38(30)42-39(32)33)41-36-19-9-5-15-28(36)29-16-6-10-20-37(29)41/h1-24H
InChIKeyCRXHQXUYTMMEJJ-UHFFFAOYSA-N
MW552.70 g/mol
LogP11.03
Rot. Bonds3

About 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole

9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole (PubChem CID 129225578) has the molecular formula C39H24N2S and a molecular weight of 552.70 g/mol. Its IUPAC name is 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole
PubChem CID129225578
Molecular FormulaC39H24N2S
Molecular Weight552.70 g/mol
Exact Mass552.17
IUPAC Name9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C39H24N2S/c1-2-12-25(13-3-1)31-24-35(40-34-18-8-4-14-27(31)34)33-23-26(22-32-30-17-7-11-21-38(30)42-39(32)33)41-36-19-9-5-15-28(36)29-16-6-10-20-37(29)41/h1-24H
InChIKeyCRXHQXUYTMMEJJ-UHFFFAOYSA-N
XLogP11.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.70
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazole
CID 129225566
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]carbazole
CID 121289872
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158853186
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole
CID 170228490
4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 139556200
15-phenyl-11-[4-(4-phenylquinolin-2-yl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118546087
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130265922
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 157448402
7-[4-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole
CID 163763843
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 130265782
19-phenyl-15-[3-(4-phenylquinolin-2-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 129141877
9-naphthalen-1-yl-14-(4-phenyldibenzothiophen-2-yl)-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 138623566

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole (CID 129225578) is 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole is c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)nc3ccccc23)cc1.
What is the InChIKey of 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole?
The InChIKey is CRXHQXUYTMMEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2S/c1-2-12-25(13-3-1)31-24-35(40-34-18-8-4-14-27(31)34)33-23-26(22-32-30-17-7-11-21-38(30)42-39(32)33)41-36-19-9-5-15-28(36)29-16-6-10-20-37(29)41/h1-24H.
What are the key properties of 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole?
9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole has a molecular weight of 552.70 g/mol, XLogP of 11.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 129225578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).