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

C52H32N2S — CID 167243638

IUPAC8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)cc4c4ccc5ccccc5c43)c2)cc1
InChIInChI=1S/C52H32N2S/c1-2-12-33(13-3-1)35-15-10-16-38(30-35)53-46-28-25-37(32-44(46)41-27-24-34-14-4-5-17-39(34)52(41)53)36-26-29-47-43(31-36)40-18-6-8-20-45(40)54(47)48-21-11-23-50-51(48)42-19-7-9-22-49(42)55-50/h1-32H
InChIKeyDPPBZEALLPDVRQ-UHFFFAOYSA-N
MW716.91 g/mol
LogP14.74
Rot. Bonds4

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

8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole (PubChem CID 167243638) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole.

Molecular Properties

Compound Name8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
PubChem CID167243638
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)cc4c4ccc5ccccc5c43)c2)cc1
InChIInChI=1S/C52H32N2S/c1-2-12-33(13-3-1)35-15-10-16-38(30-35)53-46-28-25-37(32-44(46)41-27-24-34-14-4-5-17-39(34)52(41)53)36-26-29-47-43(31-36)40-18-6-8-20-45(40)54(47)48-21-11-23-50-51(48)42-19-7-9-22-49(42)55-50/h1-32H
InChIKeyDPPBZEALLPDVRQ-UHFFFAOYSA-N
XLogP14.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole
CID 167243655
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
11-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 166915375
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243474
8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243897
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-dibenzothiophen-1-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465493
9-dibenzothiophen-1-yl-14-(3-phenylphenyl)-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 166961335
3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305808

Frequently Asked Questions

What is the IUPAC name of 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole?
The IUPAC name of 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole (CID 167243638) is 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole.
What is the SMILES notation for 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole?
The canonical SMILES for 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)cc4c4ccc5ccccc5c43)c2)cc1.
What is the InChIKey of 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole?
The InChIKey is DPPBZEALLPDVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-2-12-33(13-3-1)35-15-10-16-38(30-35)53-46-28-25-37(32-44(46)41-27-24-34-14-4-5-17-39(34)52(41)53)36-26-29-47-43(31-36)40-18-6-8-20-45(40)54(47)48-21-11-23-50-51(48)42-19-7-9-22-49(42)55-50/h1-32H.
What are the key properties of 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole?
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole has a molecular weight of 716.91 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole is sourced from PubChem (CID 167243638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).