3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole

C84H51N3S2 — CID 166807262

IUPAC3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
SMILESc1cc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C84H51N3S2/c1-8-31-75-63(22-1)64-23-2-9-32-76(64)85(75)57-21-16-20-56(47-57)71-48-52(53-39-45-83-74(49-53)69-28-7-13-36-81(69)88-83)38-42-61(71)62-43-40-58(50-72(62)55-19-15-18-54(46-55)60-29-17-30-70-68-27-6-14-37-82(68)89-84(60)70)87-79-35-12-5-26-67(79)73-51-59(41-44-80(73)87)86-77-33-10-3-24-65(77)66-25-4-11-34-78(66)86/h1-51H
InChIKeySEBWHCVFWRFYFO-UHFFFAOYSA-N
MW1166.49 g/mol
LogP24.05
Rot. Bonds8

About 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole

3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole (PubChem CID 166807262) has the molecular formula C84H51N3S2 and a molecular weight of 1166.49 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
PubChem CID166807262
Molecular FormulaC84H51N3S2
Molecular Weight1166.49 g/mol
Exact Mass1165.35
IUPAC Name3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
SMILESc1cc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C84H51N3S2/c1-8-31-75-63(22-1)64-23-2-9-32-76(64)85(75)57-21-16-20-56(47-57)71-48-52(53-39-45-83-74(49-53)69-28-7-13-36-81(69)88-83)38-42-61(71)62-43-40-58(50-72(62)55-19-15-18-54(46-55)60-29-17-30-70-68-27-6-14-37-82(68)89-84(60)70)87-79-35-12-5-26-67(79)73-51-59(41-44-80(73)87)86-77-33-10-3-24-65(77)66-25-4-11-34-78(66)86/h1-51H
InChIKeySEBWHCVFWRFYFO-UHFFFAOYSA-N
XLogP24.05
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.49
LogP ≤ 524.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene
CID 162040237
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole (CID 166807262) is 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole is c1cc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The InChIKey is SEBWHCVFWRFYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H51N3S2/c1-8-31-75-63(22-1)64-23-2-9-32-76(64)85(75)57-21-16-20-56(47-57)71-48-52(53-39-45-83-74(49-53)69-28-7-13-36-81(69)88-83)38-42-61(71)62-43-40-58(50-72(62)55-19-15-18-54(46-55)60-29-17-30-70-68-27-6-14-37-82(68)89-84(60)70)87-79-35-12-5-26-67(79)73-51-59(41-44-80(73)87)86-77-33-10-3-24-65(77)66-25-4-11-34-78(66)86/h1-51H.
What are the key properties of 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole has a molecular weight of 1166.49 g/mol, XLogP of 24.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 166807262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).