8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole

C52H32N2S — CID 167243897

IUPAC8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4n(-c4cccc5c4sc4ccccc45)c3c2)cc1
InChIInChI=1S/C52H32N2S/c1-3-12-33(13-4-1)37-23-26-40-44-30-35(25-29-47(44)54(49(40)32-37)48-20-11-19-43-41-18-9-10-21-50(41)55-52(43)48)36-24-28-46-45(31-36)42-27-22-34-14-7-8-17-39(34)51(42)53(46)38-15-5-2-6-16-38/h1-32H
InChIKeyXEFIXYJQYCXMOW-UHFFFAOYSA-N
MW716.91 g/mol
LogP14.74
Rot. Bonds4

About 8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole

8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole (PubChem CID 167243897) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
PubChem CID167243897
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4n(-c4cccc5c4sc4ccccc45)c3c2)cc1
InChIInChI=1S/C52H32N2S/c1-3-12-33(13-4-1)37-23-26-40-44-30-35(25-29-47(44)54(49(40)32-37)48-20-11-19-43-41-18-9-10-21-50(41)55-52(43)48)36-24-28-46-45(31-36)42-27-22-34-14-7-8-17-39(34)51(42)53(46)38-15-5-2-6-16-38/h1-32H
InChIKeyXEFIXYJQYCXMOW-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

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
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole
CID 167243659
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
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
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-10-(2-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole
CID 171591426
N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781972
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781344

Frequently Asked Questions

What is the IUPAC name of 8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
The IUPAC name of 8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole (CID 167243897) is 8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
The canonical SMILES for 8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole is c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4n(-c4cccc5c4sc4ccccc45)c3c2)cc1.
What is the InChIKey of 8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
The InChIKey is XEFIXYJQYCXMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-3-12-33(13-4-1)37-23-26-40-44-30-35(25-29-47(44)54(49(40)32-37)48-20-11-19-43-41-18-9-10-21-50(41)55-52(43)48)36-24-28-46-45(31-36)42-27-22-34-14-7-8-17-39(34)51(42)53(46)38-15-5-2-6-16-38/h1-32H.
What are the key properties of 8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[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-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 167243897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).