9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole

C78H49NS2 — CID 88572720

IUPAC9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc6c(c5)c5cc(-c7cc(-c8ccccc8)cc8c7sc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5n6-c5ccccc5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C78H49NS2/c1-8-22-50(23-9-1)58-42-63(54-30-16-5-17-31-54)75-69(46-58)71-48-60(52-26-12-3-13-27-52)44-65(77(71)80-75)56-36-38-73-67(40-56)68-41-57(37-39-74(68)79(73)62-34-20-7-21-35-62)66-45-61(53-28-14-4-15-29-53)49-72-70-47-59(51-24-10-2-11-25-51)43-64(76(70)81-78(66)72)55-32-18-6-19-33-55/h1-49H
InChIKeyAGDWEYYPZPELQQ-UHFFFAOYSA-N
MW1064.39 g/mol
LogP22.86
Rot. Bonds9

About 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole

9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole (PubChem CID 88572720) has the molecular formula C78H49NS2 and a molecular weight of 1064.39 g/mol. Its IUPAC name is 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
PubChem CID88572720
Molecular FormulaC78H49NS2
Molecular Weight1064.39 g/mol
Exact Mass1063.33
IUPAC Name9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc6c(c5)c5cc(-c7cc(-c8ccccc8)cc8c7sc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5n6-c5ccccc5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C78H49NS2/c1-8-22-50(23-9-1)58-42-63(54-30-16-5-17-31-54)75-69(46-58)71-48-60(52-26-12-3-13-27-52)44-65(77(71)80-75)56-36-38-73-67(40-56)68-41-57(37-39-74(68)79(73)62-34-20-7-21-35-62)66-45-61(53-28-14-4-15-29-53)49-72-70-47-59(51-24-10-2-11-25-51)43-64(76(70)81-78(66)72)55-32-18-6-19-33-55/h1-49H
InChIKeyAGDWEYYPZPELQQ-UHFFFAOYSA-N
XLogP22.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.39
LogP ≤ 522.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-2,7-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
CID 159517353
3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole
CID 154591070
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
9-phenyl-3-[8-(4-phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 164838503
3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156348
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzothiophen-4-yl)carbazole
CID 87156398
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 154938927
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-di(dibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 161294755

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole?
The IUPAC name of 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole (CID 88572720) is 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole.
What is the SMILES notation for 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole?
The canonical SMILES for 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc6c(c5)c5cc(-c7cc(-c8ccccc8)cc8c7sc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5n6-c5ccccc5)cc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole?
The InChIKey is AGDWEYYPZPELQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H49NS2/c1-8-22-50(23-9-1)58-42-63(54-30-16-5-17-31-54)75-69(46-58)71-48-60(52-26-12-3-13-27-52)44-65(77(71)80-75)56-36-38-73-67(40-56)68-41-57(37-39-74(68)79(73)62-34-20-7-21-35-62)66-45-61(53-28-14-4-15-29-53)49-72-70-47-59(51-24-10-2-11-25-51)43-64(76(70)81-78(66)72)55-32-18-6-19-33-55/h1-49H.
What are the key properties of 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole?
9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole has a molecular weight of 1064.39 g/mol, XLogP of 22.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 88572720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).