9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole

C48H51NS — CID 140875802

IUPAC9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole
SMILESc1ccc2c(c1)sc1c(-n3c4ccccc4c4cc(C5CCC6C(C5)C5CCCC7C8CCCCC8C8CCCC6C8C75)ccc43)cccc12
InChIInChI=1S/C48H51NS/c1-2-11-31-30(10-1)35-14-7-16-37-32-24-22-28(26-40(32)38-17-8-15-36(31)47(38)46(35)37)29-23-25-43-41(27-29)33-12-3-5-19-42(33)49(43)44-20-9-18-39-34-13-4-6-21-45(34)50-48(39)44/h3-6,9,12-13,18-21,23,25,27-28,30-32,35-38,40,46-47H,1-2,7-8,10-11,14-17,22,24,26H2
InChIKeyVXWFODOPHIDDAY-UHFFFAOYSA-N
MW674.01 g/mol
LogP13.55
Rot. Bonds2

About 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole

9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole (PubChem CID 140875802) has the molecular formula C48H51NS and a molecular weight of 674.01 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole
PubChem CID140875802
Molecular FormulaC48H51NS
Molecular Weight674.01 g/mol
Exact Mass673.37
IUPAC Name9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole
SMILESc1ccc2c(c1)sc1c(-n3c4ccccc4c4cc(C5CCC6C(C5)C5CCCC7C8CCCCC8C8CCCC6C8C75)ccc43)cccc12
InChIInChI=1S/C48H51NS/c1-2-11-31-30(10-1)35-14-7-16-37-32-24-22-28(26-40(32)38-17-8-15-36(31)47(38)46(35)37)29-23-25-43-41(27-29)33-12-3-5-19-42(33)49(43)44-20-9-18-39-34-13-4-6-21-45(34)50-48(39)44/h3-6,9,12-13,18-21,23,25,27-28,30-32,35-38,40,46-47H,1-2,7-8,10-11,14-17,22,24,26H2
InChIKeyVXWFODOPHIDDAY-UHFFFAOYSA-N
XLogP13.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.01
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole with MolForge

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Related Compounds

9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine
CID 140875796
2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166037441
2-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triacontanyl)phenyl]dibenzothiophene
CID 140875800
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 126755928
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
1-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 58479590
9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 139397505
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

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole?
The IUPAC name of 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole (CID 140875802) is 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole.
What is the SMILES notation for 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole?
The canonical SMILES for 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole is c1ccc2c(c1)sc1c(-n3c4ccccc4c4cc(C5CCC6C(C5)C5CCCC7C8CCCCC8C8CCCC6C8C75)ccc43)cccc12.
What is the InChIKey of 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole?
The InChIKey is VXWFODOPHIDDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H51NS/c1-2-11-31-30(10-1)35-14-7-16-37-32-24-22-28(26-40(32)38-17-8-15-36(31)47(38)46(35)37)29-23-25-43-41(27-29)33-12-3-5-19-42(33)49(43)44-20-9-18-39-34-13-4-6-21-45(34)50-48(39)44/h3-6,9,12-13,18-21,23,25,27-28,30-32,35-38,40,46-47H,1-2,7-8,10-11,14-17,22,24,26H2.
What are the key properties of 9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole?
9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole has a molecular weight of 674.01 g/mol, XLogP of 13.55, 2 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-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole is sourced from PubChem (CID 140875802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).