2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide

C43H25NO2S — CID 121289007

IUPAC2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(-c3ccc4c(c3)-c3cccc5c3C4c3ccccc3-5)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C43H25NO2S/c45-47(46)40-20-17-26(25-16-19-34-35(22-25)33-13-7-12-32-28-8-1-2-11-31(28)43(34)42(32)33)23-36(40)37-24-27(18-21-41(37)47)44-38-14-5-3-9-29(38)30-10-4-6-15-39(30)44/h1-24,43H
InChIKeyATYVTMIDYYJKKX-UHFFFAOYSA-N
MW619.75 g/mol
LogP10.40
Rot. Bonds2

About 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide

2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide (PubChem CID 121289007) has the molecular formula C43H25NO2S and a molecular weight of 619.75 g/mol. Its IUPAC name is 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide
PubChem CID121289007
Molecular FormulaC43H25NO2S
Molecular Weight619.75 g/mol
Exact Mass619.16
IUPAC Name2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(-c3ccc4c(c3)-c3cccc5c3C4c3ccccc3-5)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C43H25NO2S/c45-47(46)40-20-17-26(25-16-19-34-35(22-25)33-13-7-12-32-28-8-1-2-11-31(28)43(34)42(32)33)23-36(40)37-24-27(18-21-41(37)47)44-38-14-5-3-9-29(38)30-10-4-6-15-39(30)44/h1-24,43H
InChIKeyATYVTMIDYYJKKX-UHFFFAOYSA-N
XLogP10.40
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.75
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide with MolForge

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Related Compounds

10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one
CID 138709770
2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
CID 135252120
2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide
CID 167284800
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3-carbazol-9-yldibenzothiophene 5,5-dioxide
CID 135131341
9-(2-phenylphenyl)-3-[3-[9-(2-phenylphenyl)-9H-fluoren-3-yl]carbazol-9-yl]carbazole
CID 71232640
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole
CID 118318915
9-[9-[4-[4-(2-carbazol-9-yl-9H-fluoren-9-yl)phenyl]phenyl]-9H-fluoren-2-yl]carbazole
CID 134379825
9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
CID 58435369

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide (CID 121289007) is 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccc(-c3ccc4c(c3)-c3cccc5c3C4c3ccccc3-5)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide?
The InChIKey is ATYVTMIDYYJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO2S/c45-47(46)40-20-17-26(25-16-19-34-35(22-25)33-13-7-12-32-28-8-1-2-11-31(28)43(34)42(32)33)23-36(40)37-24-27(18-21-41(37)47)44-38-14-5-3-9-29(38)30-10-4-6-15-39(30)44/h1-24,43H.
What are the key properties of 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide?
2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide has a molecular weight of 619.75 g/mol, XLogP of 10.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 121289007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).