2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole

C82H50N4S2 — CID 134236738

IUPAC2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9sc%10ccccc%10c9c8)cc76)c5)nc(-n5c6ccccc6c6ccc(-c7ccc8sc9ccccc9c8c7)cc65)n4)c3)c2)cc1
InChIInChI=1S/C82H50N4S2/c1-3-17-51(18-4-1)60-42-61(52-19-5-2-6-20-52)44-62(43-60)53-21-15-22-58(41-53)72-50-73(84-82(83-72)86-75-30-12-8-26-65(75)67-38-34-57(49-77(67)86)55-36-40-81-71(47-55)69-28-10-14-32-79(69)88-81)59-23-16-24-63(45-59)85-74-29-11-7-25-64(74)66-37-33-56(48-76(66)85)54-35-39-80-70(46-54)68-27-9-13-31-78(68)87-80/h1-50H
InChIKeySQQQZFYFCTUKEV-UHFFFAOYSA-N
MW1155.46 g/mol
LogP23.08
Rot. Bonds9

About 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole

2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole (PubChem CID 134236738) has the molecular formula C82H50N4S2 and a molecular weight of 1155.46 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
PubChem CID134236738
Molecular FormulaC82H50N4S2
Molecular Weight1155.46 g/mol
Exact Mass1154.35
IUPAC Name2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9sc%10ccccc%10c9c8)cc76)c5)nc(-n5c6ccccc6c6ccc(-c7ccc8sc9ccccc9c8c7)cc65)n4)c3)c2)cc1
InChIInChI=1S/C82H50N4S2/c1-3-17-51(18-4-1)60-42-61(52-19-5-2-6-20-52)44-62(43-60)53-21-15-22-58(41-53)72-50-73(84-82(83-72)86-75-30-12-8-26-65(75)67-38-34-57(49-77(67)86)55-36-40-81-71(47-55)69-28-10-14-32-79(69)88-81)59-23-16-24-63(45-59)85-74-29-11-7-25-64(74)66-37-33-56(48-76(66)85)54-35-39-80-70(46-54)68-27-9-13-31-78(68)87-80/h1-50H
InChIKeySQQQZFYFCTUKEV-UHFFFAOYSA-N
XLogP23.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.46
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 139555195
8-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 67700869
9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
8-[8-[5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 118503299
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(3-isocyanophenyl)-6-phenylpyrimidin-2-yl]carbazole
CID 123538848
9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
CID 139500820
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836287
11-(4-dibenzothiophen-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154634

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole (CID 134236738) is 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9sc%10ccccc%10c9c8)cc76)c5)nc(-n5c6ccccc6c6ccc(-c7ccc8sc9ccccc9c8c7)cc65)n4)c3)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is SQQQZFYFCTUKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N4S2/c1-3-17-51(18-4-1)60-42-61(52-19-5-2-6-20-52)44-62(43-60)53-21-15-22-58(41-53)72-50-73(84-82(83-72)86-75-30-12-8-26-65(75)67-38-34-57(49-77(67)86)55-36-40-81-71(47-55)69-28-10-14-32-79(69)88-81)59-23-16-24-63(45-59)85-74-29-11-7-25-64(74)66-37-33-56(48-76(66)85)54-35-39-80-70(46-54)68-27-9-13-31-78(68)87-80/h1-50H.
What are the key properties of 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole?
2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1155.46 g/mol, XLogP of 23.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 134236738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).