2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one

C80H46N4O6S2 — CID 155081092

IUPAC2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2ccc(-c3c4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c(-c4ccc5c(c4)S(=O)(=O)c4ccccc4C5=O)c4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c34)cc21
InChIInChI=1S/C80H46N4O6S2/c85-79-57-27-11-18-34-70(57)92(89,90)72-44-48(35-39-59(72)79)74-76-56-26-10-16-32-66(56)83(51-37-40-67-60(45-51)53-23-7-13-29-63(53)81(67)49-19-3-1-4-20-49)77(76)73(47-36-42-71-62(43-47)80(86)58-28-12-17-33-69(58)91(71,87)88)75-55-25-9-15-31-65(55)84(78(74)75)52-38-41-68-61(46-52)54-24-8-14-30-64(54)82(68)50-21-5-2-6-22-50/h1-46H
InChIKeyGVBZVHLVJZTVJR-UHFFFAOYSA-N
MW1223.40 g/mol
LogP18.16
Rot. Bonds6

About 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one

2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one (PubChem CID 155081092) has the molecular formula C80H46N4O6S2 and a molecular weight of 1223.40 g/mol. Its IUPAC name is 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one
PubChem CID155081092
Molecular FormulaC80H46N4O6S2
Molecular Weight1223.40 g/mol
Exact Mass1222.29
IUPAC Name2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2ccc(-c3c4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c(-c4ccc5c(c4)S(=O)(=O)c4ccccc4C5=O)c4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c34)cc21
InChIInChI=1S/C80H46N4O6S2/c85-79-57-27-11-18-34-70(57)92(89,90)72-44-48(35-39-59(72)79)74-76-56-26-10-16-32-66(56)83(51-37-40-67-60(45-51)53-23-7-13-29-63(53)81(67)49-19-3-1-4-20-49)77(76)73(47-36-42-71-62(43-47)80(86)58-28-12-17-33-69(58)91(71,87)88)75-55-25-9-15-31-65(55)84(78(74)75)52-38-41-68-61(46-52)54-24-8-14-30-64(54)82(68)50-21-5-2-6-22-50/h1-46H
InChIKeyGVBZVHLVJZTVJR-UHFFFAOYSA-N
XLogP18.16
TPSA122.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.40
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5,11-diphenyl-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one
CID 155081222
10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one
CID 138709770
3-carbazol-9-yldibenzothiophene 5,5-dioxide
CID 135131341
3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 169131778
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
2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione
CID 144761612
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
4-[9-(4-phenylphenyl)carbazol-3-yl]-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118565132
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183

Frequently Asked Questions

What is the IUPAC name of 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one?
The IUPAC name of 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one (CID 155081092) is 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one is O=C1c2ccccc2S(=O)(=O)c2ccc(-c3c4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c(-c4ccc5c(c4)S(=O)(=O)c4ccccc4C5=O)c4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c34)cc21.
What is the InChIKey of 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one?
The InChIKey is GVBZVHLVJZTVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H46N4O6S2/c85-79-57-27-11-18-34-70(57)92(89,90)72-44-48(35-39-59(72)79)74-76-56-26-10-16-32-66(56)83(51-37-40-67-60(45-51)53-23-7-13-29-63(53)81(67)49-19-3-1-4-20-49)77(76)73(47-36-42-71-62(43-47)80(86)58-28-12-17-33-69(58)91(71,87)88)75-55-25-9-15-31-65(55)84(78(74)75)52-38-41-68-61(46-52)54-24-8-14-30-64(54)82(68)50-21-5-2-6-22-50/h1-46H.
What are the key properties of 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one?
2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one has a molecular weight of 1223.40 g/mol, XLogP of 18.16, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,11-bis(9-phenylcarbazol-3-yl)-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 155081092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).