3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane

C135H86AlN5O3S3 — CID 157191773

IUPAC3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)ccc32)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/2C36H23NS.C36H22S.3C9H7NO.Al/c1-2-12-27(13-3-1)37-33-18-6-4-14-29(33)32-23-25(20-21-34(32)37)24-10-8-11-26(22-24)28-16-9-17-31-30-15-5-7-19-35(30)38-36(28)31;1-2-9-27(10-3-1)37-33-15-6-4-11-29(33)32-23-26(21-22-34(32)37)24-17-19-25(20-18-24)28-13-8-14-31-30-12-5-7-16-35(30)38-36(28)31;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-23H;1-22H;3*1-6,11H;/q;;;;;;+3/p-3
InChIKeyAPTXGJYGPSNTQH-UHFFFAOYSA-K
MW1949.39 g/mol
LogP37.67
Rot. Bonds14

About 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane

3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane (PubChem CID 157191773) has the molecular formula C135H86AlN5O3S3 and a molecular weight of 1949.39 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane
PubChem CID157191773
Molecular FormulaC135H86AlN5O3S3
Molecular Weight1949.39 g/mol
Exact Mass1947.57
IUPAC Name3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)ccc32)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/2C36H23NS.C36H22S.3C9H7NO.Al/c1-2-12-27(13-3-1)37-33-18-6-4-14-29(33)32-23-25(20-21-34(32)37)24-10-8-11-26(22-24)28-16-9-17-31-30-15-5-7-19-35(30)38-36(28)31;1-2-9-27(10-3-1)37-33-15-6-4-11-29(33)32-23-26(21-22-34(32)37)24-17-19-25(20-18-24)28-13-8-14-31-30-12-5-7-16-35(30)38-36(28)31;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-23H;1-22H;3*1-6,11H;/q;;;;;;+3/p-3
InChIKeyAPTXGJYGPSNTQH-UHFFFAOYSA-K
XLogP37.67
TPSA76.22 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001949.39
LogP ≤ 537.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,2-Bis(1-benzothiophen-2-yl)-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 139129272
Tris(benzo[f]quinolin-5-yloxy)alumane
CID 20608027
[6-[9-(6-Carbazol-9-yl-9-ethylcarbazol-3-yl)carbazol-3-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane
CID 57591926
Tris[[6-[9-(6-carbazol-9-yl-9-ethylcarbazol-3-yl)carbazol-3-yl]quinolin-8-yl]oxy]alumane
CID 57591930
Bis[(2-methylquinolin-8-yl)oxy]-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]oxyalumane
CID 59318898
Bis[(2-methylquinolin-8-yl)oxy]-[4-(5-naphthalen-2-ylthiophen-2-yl)phenoxy]alumane
CID 59318903
[4-[4-[6-[4-[4-Di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]sulfanyl-2,7-dimethyl-9,9-dioctylfluoren-3-yl]sulfanylphenyl]phenoxy]-di(quinolin-8-yloxy)alumane
CID 140587352
[4-[4-[7-[4-[4-Di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]sulfanyl-3,6-dimethyl-9,9-dioctylfluoren-2-yl]sulfanylphenyl]phenoxy]-di(quinolin-8-yloxy)alumane
CID 140587360
(4-Dibenzothiophen-4-ylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 140803106
Bis[(2-methylquinolin-8-yl)oxy]-naphtho[1,2-b][1]benzothiol-10-yloxyalumane
CID 140803108
Bis[(2-methylquinolin-8-yl)oxy]-(4-naphtho[2,3-b][1]benzothiol-6-ylphenoxy)alumane
CID 140803110
Bis[(2-methylquinolin-8-yl)oxy]-naphtho[2,3-b][1]benzothiol-4-yloxyalumane
CID 140803121

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane?
The IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane (CID 157191773) is 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane?
The canonical SMILES for 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)ccc32)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane?
The InChIKey is APTXGJYGPSNTQH-UHFFFAOYSA-K. The full InChI is InChI=1S/2C36H23NS.C36H22S.3C9H7NO.Al/c1-2-12-27(13-3-1)37-33-18-6-4-14-29(33)32-23-25(20-21-34(32)37)24-10-8-11-26(22-24)28-16-9-17-31-30-15-5-7-19-35(30)38-36(28)31;1-2-9-27(10-3-1)37-33-15-6-4-11-29(33)32-23-26(21-22-34(32)37)24-17-19-25(20-18-24)28-13-8-14-31-30-12-5-7-16-35(30)38-36(28)31;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-23H;1-22H;3*1-6,11H;/q;;;;;;+3/p-3.
What are the key properties of 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane?
3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane has a molecular weight of 1949.39 g/mol, XLogP of 37.67, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 157191773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).