10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one

C50H31NO3S — CID 138709770

IUPAC10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one
SMILESO=C1c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2S(=O)(=O)c2cc(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)ccc21
InChIInChI=1S/C50H31NO3S/c52-50-41-24-20-35(32-19-23-40-42(27-32)37-15-7-8-17-39(37)49(40)31-11-3-1-4-12-31)30-48(41)55(53,54)47-26-22-34(29-44(47)50)33-21-25-46-43(28-33)38-16-9-10-18-45(38)51(46)36-13-5-2-6-14-36/h1-30,49H
InChIKeyWOWKQBUHOWPZPN-UHFFFAOYSA-N
MW725.87 g/mol
LogP11.66
Rot. Bonds4

About 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one

10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one (PubChem CID 138709770) has the molecular formula C50H31NO3S and a molecular weight of 725.87 g/mol. Its IUPAC name is 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one.

Molecular Properties

Compound Name10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one
PubChem CID138709770
Molecular FormulaC50H31NO3S
Molecular Weight725.87 g/mol
Exact Mass725.20
IUPAC Name10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one
SMILESO=C1c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2S(=O)(=O)c2cc(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)ccc21
InChIInChI=1S/C50H31NO3S/c52-50-41-24-20-35(32-19-23-40-42(27-32)37-15-7-8-17-39(37)49(40)31-11-3-1-4-12-31)30-48(41)55(53,54)47-26-22-34(29-44(47)50)33-21-25-46-43(28-33)38-16-9-10-18-45(38)51(46)36-13-5-2-6-14-36/h1-30,49H
InChIKeyWOWKQBUHOWPZPN-UHFFFAOYSA-N
XLogP11.66
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.87
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
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
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
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
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
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one
CID 135232595
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
24-phenyl-28-(9-phenyl-9H-fluoren-3-yl)-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130323535
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226

Frequently Asked Questions

What is the IUPAC name of 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one?
The IUPAC name of 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one (CID 138709770) is 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one.
What is the SMILES notation for 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one?
The canonical SMILES for 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one is O=C1c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2S(=O)(=O)c2cc(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)ccc21.
What is the InChIKey of 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one?
The InChIKey is WOWKQBUHOWPZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO3S/c52-50-41-24-20-35(32-19-23-40-42(27-32)37-15-7-8-17-39(37)49(40)31-11-3-1-4-12-31)30-48(41)55(53,54)47-26-22-34(29-44(47)50)33-21-25-46-43(28-33)38-16-9-10-18-45(38)51(46)36-13-5-2-6-14-36/h1-30,49H.
What are the key properties of 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one?
10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one has a molecular weight of 725.87 g/mol, XLogP of 11.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dioxo-2-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)thioxanthen-9-one is sourced from PubChem (CID 138709770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).