9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole

C43H27NS — CID 126755928

IUPAC9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole
SMILESc1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/C43H27NS/c1-2-11-27(12-3-1)42-33-16-5-4-13-30(33)36-25-28(21-23-34(36)42)29-22-24-39-37(26-29)31-14-6-8-18-38(31)44(39)40-19-10-17-35-32-15-7-9-20-41(32)45-43(35)40/h1-26,42H
InChIKeyRVNPWJDGCUGNTK-UHFFFAOYSA-N
MW589.76 g/mol
LogP11.98
Rot. Bonds3

About 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole

9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole (PubChem CID 126755928) has the molecular formula C43H27NS and a molecular weight of 589.76 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole
PubChem CID126755928
Molecular FormulaC43H27NS
Molecular Weight589.76 g/mol
Exact Mass589.19
IUPAC Name9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole
SMILESc1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/C43H27NS/c1-2-11-27(12-3-1)42-33-16-5-4-13-30(33)36-25-28(21-23-34(36)42)29-22-24-39-37(26-29)31-14-6-8-18-38(31)44(39)40-19-10-17-35-32-15-7-9-20-41(32)45-43(35)40/h1-26,42H
InChIKeyRVNPWJDGCUGNTK-UHFFFAOYSA-N
XLogP11.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.76
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086505
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
2-methyl-3-[3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]carbazol-9-yl]benzenethiol
CID 170132483
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole?
The IUPAC name of 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole (CID 126755928) is 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole.
What is the SMILES notation for 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole?
The canonical SMILES for 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole is c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.
What is the InChIKey of 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole?
The InChIKey is RVNPWJDGCUGNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NS/c1-2-11-27(12-3-1)42-33-16-5-4-13-30(33)36-25-28(21-23-34(36)42)29-22-24-39-37(26-29)31-14-6-8-18-38(31)44(39)40-19-10-17-35-32-15-7-9-20-41(32)45-43(35)40/h1-26,42H.
What are the key properties of 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole?
9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole has a molecular weight of 589.76 g/mol, XLogP of 11.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole is sourced from PubChem (CID 126755928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).