1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole

C43H27NS — CID 166135021

IUPAC1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
SMILESc1ccc(-c2ccc3c([nH]c4ccccc43)c2-c2ccc3c(c2-c2cccc4sc5ccccc5c24)Cc2ccccc2-3)cc1
InChIInChI=1S/C43H27NS/c1-2-11-26(12-3-1)29-21-23-32-31-15-6-8-18-37(31)44-43(32)42(29)35-24-22-30-28-14-5-4-13-27(28)25-36(30)40(35)34-17-10-20-39-41(34)33-16-7-9-19-38(33)45-39/h1-24,44H,25H2
InChIKeyRHBFCMFXWZXCLP-UHFFFAOYSA-N
MW589.76 g/mol
LogP12.26
Rot. Bonds3

About 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole

1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole (PubChem CID 166135021) has the molecular formula C43H27NS and a molecular weight of 589.76 g/mol. Its IUPAC name is 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole.

Molecular Properties

Compound Name1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
PubChem CID166135021
Molecular FormulaC43H27NS
Molecular Weight589.76 g/mol
Exact Mass589.19
IUPAC Name1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
SMILESc1ccc(-c2ccc3c([nH]c4ccccc43)c2-c2ccc3c(c2-c2cccc4sc5ccccc5c24)Cc2ccccc2-3)cc1
InChIInChI=1S/C43H27NS/c1-2-11-26(12-3-1)29-21-23-32-31-15-6-8-18-37(31)44-43(32)42(29)35-24-22-30-28-14-5-4-13-27(28)25-36(30)40(35)34-17-10-20-39-41(34)33-16-7-9-19-38(33)45-39/h1-24,44H,25H2
InChIKeyRHBFCMFXWZXCLP-UHFFFAOYSA-N
XLogP12.26
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.76
LogP ≤ 512.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-dibenzofuran-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
CID 166134395
2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole
CID 166134111
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
12H-fluoreno[2,1-b][1]benzothiole
CID 122434434
2-(9H-fluoren-1-yl)-9H-carbazol-1-amine
CID 172636197
7,12-dihydroindeno[1,2-a]carbazole
CID 58472013
2-(9H-fluoren-1-yl)-3,4-dimethyl-1-phenyl-9H-carbazole
CID 175536427
9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 158392465
N-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]naphthalen-1-amine
CID 175536282
N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 166135046
2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole
CID 166133765
1-phenyldibenzothiophene;hydrobromide
CID 174679709

Frequently Asked Questions

What is the IUPAC name of 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole?
The IUPAC name of 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole (CID 166135021) is 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole.
What is the SMILES notation for 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole?
The canonical SMILES for 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole is c1ccc(-c2ccc3c([nH]c4ccccc43)c2-c2ccc3c(c2-c2cccc4sc5ccccc5c24)Cc2ccccc2-3)cc1.
What is the InChIKey of 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole?
The InChIKey is RHBFCMFXWZXCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NS/c1-2-11-26(12-3-1)29-21-23-32-31-15-6-8-18-37(31)44-43(32)42(29)35-24-22-30-28-14-5-4-13-27(28)25-36(30)40(35)34-17-10-20-39-41(34)33-16-7-9-19-38(33)45-39/h1-24,44H,25H2.
What are the key properties of 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole?
1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole has a molecular weight of 589.76 g/mol, XLogP of 12.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole is sourced from PubChem (CID 166135021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).