3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole

C48H31NS — CID 118488408

IUPAC3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccc(-c9ccccc9)cc8c7c6)ccc54)c3)c2)cc1
InChIInChI=1S/C48H31NS/c1-3-11-32(12-4-1)34-15-9-16-35(27-34)36-17-10-18-40(28-36)49-45-20-8-7-19-41(45)42-29-38(21-24-46(42)49)39-23-26-48-44(31-39)43-30-37(22-25-47(43)50-48)33-13-5-2-6-14-33/h1-31H
InChIKeyMEUCTVPTVQKOHU-UHFFFAOYSA-N
MW653.85 g/mol
LogP13.82
Rot. Bonds5

About 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole

3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole (PubChem CID 118488408) has the molecular formula C48H31NS and a molecular weight of 653.85 g/mol. Its IUPAC name is 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
PubChem CID118488408
Molecular FormulaC48H31NS
Molecular Weight653.85 g/mol
Exact Mass653.22
IUPAC Name3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccc(-c9ccccc9)cc8c7c6)ccc54)c3)c2)cc1
InChIInChI=1S/C48H31NS/c1-3-11-32(12-4-1)34-15-9-16-35(27-34)36-17-10-18-40(28-36)49-45-20-8-7-19-41(45)42-29-38(21-24-46(42)49)39-23-26-48-44(31-39)43-30-37(22-25-47(43)50-48)33-13-5-2-6-14-33/h1-31H
InChIKeyMEUCTVPTVQKOHU-UHFFFAOYSA-N
XLogP13.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.85
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
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-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 122666262
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726

Frequently Asked Questions

What is the IUPAC name of 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
The IUPAC name of 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole (CID 118488408) is 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccc(-c9ccccc9)cc8c7c6)ccc54)c3)c2)cc1.
What is the InChIKey of 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
The InChIKey is MEUCTVPTVQKOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS/c1-3-11-32(12-4-1)34-15-9-16-35(27-34)36-17-10-18-40(28-36)49-45-20-8-7-19-41(45)42-29-38(21-24-46(42)49)39-23-26-48-44(31-39)43-30-37(22-25-47(43)50-48)33-13-5-2-6-14-33/h1-31H.
What are the key properties of 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole has a molecular weight of 653.85 g/mol, XLogP of 13.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 118488408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).