3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole

C102H56F2N4S4 — CID 138715596

IUPAC3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
SMILESFc1c(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c(F)c(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c1-n1c2ccccc2c2cc(-c3ccc4sc5ccccc5c4c3)ccc21
InChIInChI=1S/C102H56F2N4S4/c103-97-99(105-81-25-9-1-17-65(81)73-49-57(33-41-85(73)105)61-37-45-93-77(53-61)69-21-5-13-29-89(69)109-93)100(106-82-26-10-2-18-66(82)74-50-58(34-42-86(74)106)62-38-46-94-78(54-62)70-22-6-14-30-90(70)110-94)98(104)102(108-84-28-12-4-20-68(84)76-52-60(36-44-88(76)108)64-40-48-96-80(56-64)72-24-8-16-32-92(72)112-96)101(97)107-83-27-11-3-19-67(83)75-51-59(35-43-87(75)107)63-39-47-95-79(55-63)71-23-7-15-31-91(71)111-95/h1-56H
InChIKeySTHNBLQBBQYMSV-UHFFFAOYSA-N
MW1503.86 g/mol
LogP30.49
Rot. Bonds8

About 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole

3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole (PubChem CID 138715596) has the molecular formula C102H56F2N4S4 and a molecular weight of 1503.86 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
PubChem CID138715596
Molecular FormulaC102H56F2N4S4
Molecular Weight1503.86 g/mol
Exact Mass1502.34
IUPAC Name3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
SMILESFc1c(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c(F)c(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c1-n1c2ccccc2c2cc(-c3ccc4sc5ccccc5c4c3)ccc21
InChIInChI=1S/C102H56F2N4S4/c103-97-99(105-81-25-9-1-17-65(81)73-49-57(33-41-85(73)105)61-37-45-93-77(53-61)69-21-5-13-29-89(69)109-93)100(106-82-26-10-2-18-66(82)74-50-58(34-42-86(74)106)62-38-46-94-78(54-62)70-22-6-14-30-90(70)110-94)98(104)102(108-84-28-12-4-20-68(84)76-52-60(36-44-88(76)108)64-40-48-96-80(56-64)72-24-8-16-32-92(72)112-96)101(97)107-83-27-11-3-19-67(83)75-51-59(35-43-87(75)107)63-39-47-95-79(55-63)71-23-7-15-31-91(71)111-95/h1-56H
InChIKeySTHNBLQBBQYMSV-UHFFFAOYSA-N
XLogP30.49
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001503.86
LogP ≤ 530.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 144619443
CID 144619443
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole
CID 71232829
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
CID 71232544
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
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
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole (CID 138715596) is 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole is Fc1c(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c(F)c(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c1-n1c2ccccc2c2cc(-c3ccc4sc5ccccc5c4c3)ccc21.
What is the InChIKey of 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole?
The InChIKey is STHNBLQBBQYMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H56F2N4S4/c103-97-99(105-81-25-9-1-17-65(81)73-49-57(33-41-85(73)105)61-37-45-93-77(53-61)69-21-5-13-29-89(69)109-93)100(106-82-26-10-2-18-66(82)74-50-58(34-42-86(74)106)62-38-46-94-78(54-62)70-22-6-14-30-90(70)110-94)98(104)102(108-84-28-12-4-20-68(84)76-52-60(36-44-88(76)108)64-40-48-96-80(56-64)72-24-8-16-32-92(72)112-96)101(97)107-83-27-11-3-19-67(83)75-51-59(35-43-87(75)107)63-39-47-95-79(55-63)71-23-7-15-31-91(71)111-95/h1-56H.
What are the key properties of 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole?
3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole has a molecular weight of 1503.86 g/mol, XLogP of 30.49, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole is sourced from PubChem (CID 138715596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).