9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole

C51H34N2S2 — CID 71232734

IUPAC9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole
SMILESCC(C)(c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C51H34N2S2/c1-51(2,31-19-23-45-39(27-31)35-11-3-7-15-43(35)52(45)33-21-25-49-41(29-33)37-13-5-9-17-47(37)54-49)32-20-24-46-40(28-32)36-12-4-8-16-44(36)53(46)34-22-26-50-42(30-34)38-14-6-10-18-48(38)55-50/h3-30H,1-2H3
InChIKeyZFPVSAPXICMBSY-UHFFFAOYSA-N
MW738.98 g/mol
LogP14.94
Rot. Bonds4

About 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole

9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole (PubChem CID 71232734) has the molecular formula C51H34N2S2 and a molecular weight of 738.98 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole
PubChem CID71232734
Molecular FormulaC51H34N2S2
Molecular Weight738.98 g/mol
Exact Mass738.22
IUPAC Name9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole
SMILESCC(C)(c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C51H34N2S2/c1-51(2,31-19-23-45-39(27-31)35-11-3-7-15-43(35)52(45)33-21-25-49-41(29-33)37-13-5-9-17-47(37)54-49)32-20-24-46-40(28-32)36-12-4-8-16-44(36)53(46)34-22-26-50-42(30-34)38-14-6-10-18-48(38)55-50/h3-30H,1-2H3
InChIKeyZFPVSAPXICMBSY-UHFFFAOYSA-N
XLogP14.94
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.98
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole (CID 71232734) is 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole is CC(C)(c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole?
The InChIKey is ZFPVSAPXICMBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S2/c1-51(2,31-19-23-45-39(27-31)35-11-3-7-15-43(35)52(45)33-21-25-49-41(29-33)37-13-5-9-17-47(37)54-49)32-20-24-46-40(28-32)36-12-4-8-16-44(36)53(46)34-22-26-50-42(30-34)38-14-6-10-18-48(38)55-50/h3-30H,1-2H3.
What are the key properties of 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole?
9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole has a molecular weight of 738.98 g/mol, XLogP of 14.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-3-[2-(9-dibenzothiophen-2-ylcarbazol-3-yl)propan-2-yl]carbazole is sourced from PubChem (CID 71232734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).