9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole

C84H54N2S — CID 166010937

IUPAC9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2cc3sc4ccccc4c3cc2-n2c3ccc(-c4ccccc4-c4ccccc4)cc3c3cc(-c4ccccc4-c4ccccc4)ccc32)cc1
InChIInChI=1S/C84H54N2S/c1-5-23-55(24-6-1)63-31-13-17-35-67(63)59-41-45-77-72(49-59)73-50-60(68-36-18-14-32-64(68)56-25-7-2-8-26-56)42-46-78(73)85(77)81-53-76-71-39-21-22-40-83(71)87-84(76)54-82(81)86-79-47-43-61(69-37-19-15-33-65(69)57-27-9-3-10-28-57)51-74(79)75-52-62(44-48-80(75)86)70-38-20-16-34-66(70)58-29-11-4-12-30-58/h1-54H
InChIKeySHFRBGRJNVEEPK-UHFFFAOYSA-N
MW1123.44 g/mol
LogP23.58
Rot. Bonds10

About 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole

9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole (PubChem CID 166010937) has the molecular formula C84H54N2S and a molecular weight of 1123.44 g/mol. Its IUPAC name is 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole
PubChem CID166010937
Molecular FormulaC84H54N2S
Molecular Weight1123.44 g/mol
Exact Mass1122.40
IUPAC Name9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2cc3sc4ccccc4c3cc2-n2c3ccc(-c4ccccc4-c4ccccc4)cc3c3cc(-c4ccccc4-c4ccccc4)ccc32)cc1
InChIInChI=1S/C84H54N2S/c1-5-23-55(24-6-1)63-31-13-17-35-67(63)59-41-45-77-72(49-59)73-50-60(68-36-18-14-32-64(68)56-25-7-2-8-26-56)42-46-78(73)85(77)81-53-76-71-39-21-22-40-83(71)87-84(76)54-82(81)86-79-47-43-61(69-37-19-15-33-65(69)57-27-9-3-10-28-57)51-74(79)75-52-62(44-48-80(75)86)70-38-20-16-34-66(70)58-29-11-4-12-30-58/h1-54H
InChIKeySHFRBGRJNVEEPK-UHFFFAOYSA-N
XLogP23.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.44
LogP ≤ 523.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118086514
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
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-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole?
The IUPAC name of 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole (CID 166010937) is 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole.
What is the SMILES notation for 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole?
The canonical SMILES for 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2cc3sc4ccccc4c3cc2-n2c3ccc(-c4ccccc4-c4ccccc4)cc3c3cc(-c4ccccc4-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole?
The InChIKey is SHFRBGRJNVEEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N2S/c1-5-23-55(24-6-1)63-31-13-17-35-67(63)59-41-45-77-72(49-59)73-50-60(68-36-18-14-32-64(68)56-25-7-2-8-26-56)42-46-78(73)85(77)81-53-76-71-39-21-22-40-83(71)87-84(76)54-82(81)86-79-47-43-61(69-37-19-15-33-65(69)57-27-9-3-10-28-57)51-74(79)75-52-62(44-48-80(75)86)70-38-20-16-34-66(70)58-29-11-4-12-30-58/h1-54H.
What are the key properties of 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole?
9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole has a molecular weight of 1123.44 g/mol, XLogP of 23.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole is sourced from PubChem (CID 166010937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).