3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole

C54H32N2S2 — CID 164733108

IUPAC3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C54H32N2S2/c1-6-19-46-38(12-1)39-13-2-7-20-47(39)55(46)35-26-27-49-43(32-35)40-14-3-8-21-48(40)56(49)54-36(33-24-28-52-44(30-33)41-15-4-9-22-50(41)57-52)17-11-18-37(54)34-25-29-53-45(31-34)42-16-5-10-23-51(42)58-53/h1-32H
InChIKeyRLJRFEDUWUFRKM-UHFFFAOYSA-N
MW773.00 g/mol
LogP15.95
Rot. Bonds4

About 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole

3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole (PubChem CID 164733108) has the molecular formula C54H32N2S2 and a molecular weight of 773.00 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
PubChem CID164733108
Molecular FormulaC54H32N2S2
Molecular Weight773.00 g/mol
Exact Mass772.20
IUPAC Name3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C54H32N2S2/c1-6-19-46-38(12-1)39-13-2-7-20-47(39)55(46)35-26-27-49-43(32-35)40-14-3-8-21-48(40)56(49)54-36(33-24-28-52-44(30-33)41-15-4-9-22-50(41)57-52)17-11-18-37(54)34-25-29-53-45(31-34)42-16-5-10-23-51(42)58-53/h1-32H
InChIKeyRLJRFEDUWUFRKM-UHFFFAOYSA-N
XLogP15.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.00
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane
CID 177105280
CID 144619443
CID 144619443
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
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-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-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
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

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole (CID 164733108) is 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole is c1cc(-c2ccc3sc4ccccc4c3c2)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole?
The InChIKey is RLJRFEDUWUFRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2S2/c1-6-19-46-38(12-1)39-13-2-7-20-47(39)55(46)35-26-27-49-43(32-35)40-14-3-8-21-48(40)56(49)54-36(33-24-28-52-44(30-33)41-15-4-9-22-50(41)57-52)17-11-18-37(54)34-25-29-53-45(31-34)42-16-5-10-23-51(42)58-53/h1-32H.
What are the key properties of 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole?
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole has a molecular weight of 773.00 g/mol, XLogP of 15.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole is sourced from PubChem (CID 164733108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).