8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole

C56H34N2S — CID 167243659

IUPAC8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c4ccc5ccccc5c43)c3ccccc23)cc1
InChIInChI=1S/C56H34N2S/c1-2-13-35(14-3-1)39-29-32-50(42-18-7-6-17-41(39)42)58-52-31-27-38(34-48(52)45-28-25-36-15-4-5-16-40(36)55(45)58)37-26-30-51-47(33-37)43-19-8-10-22-49(43)57(51)53-23-12-21-46-44-20-9-11-24-54(44)59-56(46)53/h1-34H
InChIKeyYYCBTKIOTADESG-UHFFFAOYSA-N
MW766.97 g/mol
LogP15.89
Rot. Bonds4

About 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole

8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole (PubChem CID 167243659) has the molecular formula C56H34N2S and a molecular weight of 766.97 g/mol. Its IUPAC name is 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole.

Molecular Properties

Compound Name8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole
PubChem CID167243659
Molecular FormulaC56H34N2S
Molecular Weight766.97 g/mol
Exact Mass766.24
IUPAC Name8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c4ccc5ccccc5c43)c3ccccc23)cc1
InChIInChI=1S/C56H34N2S/c1-2-13-35(14-3-1)39-29-32-50(42-18-7-6-17-41(39)42)58-52-31-27-38(34-48(52)45-28-25-36-15-4-5-16-40(36)55(45)58)37-26-30-51-47(33-37)43-19-8-10-22-49(43)57(51)53-23-12-21-46-44-20-9-11-24-54(44)59-56(46)53/h1-34H
InChIKeyYYCBTKIOTADESG-UHFFFAOYSA-N
XLogP15.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.97
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243897
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
22-dibenzothiophen-4-yl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 122465489
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole
CID 170412166
2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146490875
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 159705422
5-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-7-phenylindolo[2,3-b]carbazole;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-(3-dibenzothiophen-4-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162243192

Frequently Asked Questions

What is the IUPAC name of 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole?
The IUPAC name of 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole (CID 167243659) is 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole.
What is the SMILES notation for 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole?
The canonical SMILES for 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c4ccc5ccccc5c43)c3ccccc23)cc1.
What is the InChIKey of 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole?
The InChIKey is YYCBTKIOTADESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2S/c1-2-13-35(14-3-1)39-29-32-50(42-18-7-6-17-41(39)42)58-52-31-27-38(34-48(52)45-28-25-36-15-4-5-16-40(36)55(45)58)37-26-30-51-47(33-37)43-19-8-10-22-49(43)57(51)53-23-12-21-46-44-20-9-11-24-54(44)59-56(46)53/h1-34H.
What are the key properties of 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole?
8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole has a molecular weight of 766.97 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole is sourced from PubChem (CID 167243659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).