3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole

C42H25NS2 — CID 163571308

IUPAC3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4cccc5sc6ccccc6c45)ccc2n3-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C42H25NS2/c1-2-10-26(11-3-1)27-20-22-35-33(24-27)34-25-28(29-14-9-19-40-41(29)32-13-5-7-18-39(32)44-40)21-23-36(34)43(35)37-16-8-15-31-30-12-4-6-17-38(30)45-42(31)37/h1-25H
InChIKeyFZOPNCVVSIASMU-UHFFFAOYSA-N
MW607.80 g/mol
LogP12.85
Rot. Bonds3

About 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole

3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole (PubChem CID 163571308) has the molecular formula C42H25NS2 and a molecular weight of 607.80 g/mol. Its IUPAC name is 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
PubChem CID163571308
Molecular FormulaC42H25NS2
Molecular Weight607.80 g/mol
Exact Mass607.14
IUPAC Name3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4cccc5sc6ccccc6c45)ccc2n3-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C42H25NS2/c1-2-10-26(11-3-1)27-20-22-35-33(24-27)34-25-28(29-14-9-19-40-41(29)32-13-5-7-18-39(32)44-40)21-23-36(34)43(35)37-16-8-15-31-30-12-4-6-17-38(30)45-42(31)37/h1-25H
InChIKeyFZOPNCVVSIASMU-UHFFFAOYSA-N
XLogP12.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-dimethylcarbazole;9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-4-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 159688864
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole?
The IUPAC name of 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole (CID 163571308) is 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole.
What is the SMILES notation for 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole?
The canonical SMILES for 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5sc6ccccc6c45)ccc2n3-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole?
The InChIKey is FZOPNCVVSIASMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NS2/c1-2-10-26(11-3-1)27-20-22-35-33(24-27)34-25-28(29-14-9-19-40-41(29)32-13-5-7-18-39(32)44-40)21-23-36(34)43(35)37-16-8-15-31-30-12-4-6-17-38(30)45-42(31)37/h1-25H.
What are the key properties of 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole?
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole has a molecular weight of 607.80 g/mol, XLogP of 12.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole is sourced from PubChem (CID 163571308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).