3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole

C54H34N2S — CID 118349988

IUPAC3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5sc6c(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C54H34N2S/c1-2-12-35(13-3-1)36-24-26-37(27-25-36)38-14-10-15-39(32-38)40-28-31-53-47(33-40)45-19-11-23-52(54(45)57-53)56-50-22-9-6-18-44(50)46-34-41(29-30-51(46)56)55-48-20-7-4-16-42(48)43-17-5-8-21-49(43)55/h1-34H
InChIKeyKAGQKLCFLXYSSY-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

About 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole

3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole (PubChem CID 118349988) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
PubChem CID118349988
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5sc6c(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C54H34N2S/c1-2-12-35(13-3-1)36-24-26-37(27-25-36)38-14-10-15-39(32-38)40-28-31-53-47(33-40)45-19-11-23-52(54(45)57-53)56-50-22-9-6-18-44(50)46-34-41(29-30-51(46)56)55-48-20-7-4-16-42(48)43-17-5-8-21-49(43)55/h1-34H
InChIKeyKAGQKLCFLXYSSY-UHFFFAOYSA-N
XLogP15.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
14-dibenzothiophen-2-yl-5-[4-[3-(14-dibenzothiophen-4-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-5-phenylphenyl]phenyl]-9-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170116120
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118289124
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 164996360

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole (CID 118349988) is 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole is c1ccc(-c2ccc(-c3cccc(-c4ccc5sc6c(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole?
The InChIKey is KAGQKLCFLXYSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-2-12-35(13-3-1)36-24-26-37(27-25-36)38-14-10-15-39(32-38)40-28-31-53-47(33-40)45-19-11-23-52(54(45)57-53)56-50-22-9-6-18-44(50)46-34-41(29-30-51(46)56)55-48-20-7-4-16-42(48)43-17-5-8-21-49(43)55/h1-34H.
What are the key properties of 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole?
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole has a molecular weight of 742.95 g/mol, XLogP of 15.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 118349988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).