3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole

C52H31NS — CID 71291327

IUPAC3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2cccc4c(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)ccc76)cc5)ccc-3c24)cc1
InChIInChI=1S/C52H31NS/c1-2-9-32(10-3-1)34-19-24-39-44-26-25-38(42-13-8-14-43(52(42)44)45(39)29-34)33-17-22-37(23-18-33)53-48-15-6-4-11-40(48)46-30-35(20-27-49(46)53)36-21-28-51-47(31-36)41-12-5-7-16-50(41)54-51/h1-31H
InChIKeyKRNWGXBHSXMGNW-UHFFFAOYSA-N
MW701.89 g/mol
LogP14.95
Rot. Bonds4

About 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole

3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole (PubChem CID 71291327) has the molecular formula C52H31NS and a molecular weight of 701.89 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
PubChem CID71291327
Molecular FormulaC52H31NS
Molecular Weight701.89 g/mol
Exact Mass701.22
IUPAC Name3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2cccc4c(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)ccc76)cc5)ccc-3c24)cc1
InChIInChI=1S/C52H31NS/c1-2-9-32(10-3-1)34-19-24-39-44-26-25-38(42-13-8-14-43(52(42)44)45(39)29-34)33-17-22-37(23-18-33)53-48-15-6-4-11-40(48)46-30-35(20-27-49(46)53)36-21-28-51-47(31-36)41-12-5-7-16-50(41)54-51/h1-31H
InChIKeyKRNWGXBHSXMGNW-UHFFFAOYSA-N
XLogP14.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.89
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
CID 122434657
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434626
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole (CID 71291327) is 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole is c1ccc(-c2ccc3c(c2)-c2cccc4c(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)ccc76)cc5)ccc-3c24)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole?
The InChIKey is KRNWGXBHSXMGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NS/c1-2-9-32(10-3-1)34-19-24-39-44-26-25-38(42-13-8-14-43(52(42)44)45(39)29-34)33-17-22-37(23-18-33)53-48-15-6-4-11-40(48)46-30-35(20-27-49(46)53)36-21-28-51-47(31-36)41-12-5-7-16-50(41)54-51/h1-31H.
What are the key properties of 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole?
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole has a molecular weight of 701.89 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole is sourced from PubChem (CID 71291327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).