2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole

C101H61N5OS — CID 134566143

IUPAC2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cc6c(cc5-c5cccc7c5oc5cc(-c8ccc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)c(-c%11cccc%12c%13ccccc%13n(-c%13ccc%14sc%15ccccc%15c%14c%13)c%11%12)cc%109)cc8)ccc57)c5ccccc5n6-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C101H61N5OS/c1-4-24-63(25-5-1)81-58-85-71-32-12-16-43-90(71)104(93(85)60-83(81)77-37-20-35-75-69-30-10-17-44-91(69)105(99(75)77)68-53-55-97-87(57-68)74-34-14-19-46-96(74)108-97)67-51-48-62(49-52-67)65-50-54-73-79-39-22-40-80(101(79)107-95(73)56-65)82-59-86-72-33-13-15-42-89(72)103(66-28-8-3-9-29-66)94(86)61-84(82)78-38-21-36-76-70-31-11-18-45-92(70)106(100(76)78)98-47-23-41-88(102-98)64-26-6-2-7-27-64/h1-61H
InChIKeyRCVXWKGSEJCYAS-UHFFFAOYSA-N
MW1392.70 g/mol
LogP27.74
Rot. Bonds10

About 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole

2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole (PubChem CID 134566143) has the molecular formula C101H61N5OS and a molecular weight of 1392.70 g/mol. Its IUPAC name is 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole
PubChem CID134566143
Molecular FormulaC101H61N5OS
Molecular Weight1392.70 g/mol
Exact Mass1391.46
IUPAC Name2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cc6c(cc5-c5cccc7c5oc5cc(-c8ccc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)c(-c%11cccc%12c%13ccccc%13n(-c%13ccc%14sc%15ccccc%15c%14c%13)c%11%12)cc%109)cc8)ccc57)c5ccccc5n6-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C101H61N5OS/c1-4-24-63(25-5-1)81-58-85-71-32-12-16-43-90(71)104(93(85)60-83(81)77-37-20-35-75-69-30-10-17-44-91(69)105(99(75)77)68-53-55-97-87(57-68)74-34-14-19-46-96(74)108-97)67-51-48-62(49-52-67)65-50-54-73-79-39-22-40-80(101(79)107-95(73)56-65)82-59-86-72-33-13-15-42-89(72)103(66-28-8-3-9-29-66)94(86)61-84(82)78-38-21-36-76-70-31-11-18-45-92(70)106(100(76)78)98-47-23-41-88(102-98)64-26-6-2-7-27-64/h1-61H
InChIKeyRCVXWKGSEJCYAS-UHFFFAOYSA-N
XLogP27.74
TPSA45.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001392.70
LogP ≤ 527.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,11-bis[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole;12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(6-carbazol-9-yl-2-pyridinyl)-11-phenylindolo[2,3-a]carbazole;11-(3-dibenzothiophen-2-ylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 160790667
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole;9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole;9-dibenzofuran-4-yl-2-phenyl-3-(9-phenylcarbazol-2-yl)carbazole;9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole;9-dibenzothiophen-2-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
CID 157170070
2-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-[6-[3-(4-phenylphenyl)phenyl]-2-pyridinyl]carbazole
CID 158777539
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
CID 90321576
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159897890
3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzothiophen-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 164995701
9-dibenzofuran-2-yl-2-phenyl-3-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]carbazole
CID 90348742
11-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118154031
12-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 158343531
11-(6-carbazol-9-yl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;5-(3-dibenzothiophen-2-ylphenyl)-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole;5-phenyl-11-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 160662637
5-dibenzofuran-4-yl-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-b]carbazole;12-dibenzothiophen-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;11-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 158591073

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole?
The IUPAC name of 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole (CID 134566143) is 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole.
What is the SMILES notation for 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole?
The canonical SMILES for 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cc6c(cc5-c5cccc7c5oc5cc(-c8ccc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)c(-c%11cccc%12c%13ccccc%13n(-c%13ccc%14sc%15ccccc%15c%14c%13)c%11%12)cc%109)cc8)ccc57)c5ccccc5n6-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole?
The InChIKey is RCVXWKGSEJCYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H61N5OS/c1-4-24-63(25-5-1)81-58-85-71-32-12-16-43-90(71)104(93(85)60-83(81)77-37-20-35-75-69-30-10-17-44-91(69)105(99(75)77)68-53-55-97-87(57-68)74-34-14-19-46-96(74)108-97)67-51-48-62(49-52-67)65-50-54-73-79-39-22-40-80(101(79)107-95(73)56-65)82-59-86-72-33-13-15-42-89(72)103(66-28-8-3-9-29-66)94(86)61-84(82)78-38-21-36-76-70-31-11-18-45-92(70)106(100(76)78)98-47-23-41-88(102-98)64-26-6-2-7-27-64/h1-61H.
What are the key properties of 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole?
2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole has a molecular weight of 1392.70 g/mol, XLogP of 27.74, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzothiophen-2-ylcarbazol-1-yl)-3-phenyl-9-[4-[6-[9-phenyl-2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]carbazol-3-yl]dibenzofuran-3-yl]phenyl]carbazole is sourced from PubChem (CID 134566143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).