9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole

C66H44N2S — CID 139319581

IUPAC9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole
SMILESC1=C(c2ccccc2)c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc6sc7ccccc7c6c5)ccc4-c4ccccc4)cc23)CC1
InChIInChI=1S/C66H44N2S/c1-4-15-43(16-5-1)44-27-33-51(34-28-44)67-61-37-31-48(41-58(61)66-53(23-14-25-62(66)67)46-19-8-3-9-20-46)47-30-36-60-56(39-47)54-21-10-12-24-59(54)68(60)63-42-50(29-35-52(63)45-17-6-2-7-18-45)49-32-38-65-57(40-49)55-22-11-13-26-64(55)69-65/h1-13,15-24,26-42H,14,25H2
InChIKeyXBUFAQLZLUGDBG-UHFFFAOYSA-N
MW897.16 g/mol
LogP18.14
Rot. Bonds7

About 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole

9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole (PubChem CID 139319581) has the molecular formula C66H44N2S and a molecular weight of 897.16 g/mol. Its IUPAC name is 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole
PubChem CID139319581
Molecular FormulaC66H44N2S
Molecular Weight897.16 g/mol
Exact Mass896.32
IUPAC Name9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole
SMILESC1=C(c2ccccc2)c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc6sc7ccccc7c6c5)ccc4-c4ccccc4)cc23)CC1
InChIInChI=1S/C66H44N2S/c1-4-15-43(16-5-1)44-27-33-51(34-28-44)67-61-37-31-48(41-58(61)66-53(23-14-25-62(66)67)46-19-8-3-9-20-46)47-30-36-60-56(39-47)54-21-10-12-24-59(54)68(60)63-42-50(29-35-52(63)45-17-6-2-7-18-45)49-32-38-65-57(40-49)55-22-11-13-26-64(55)69-65/h1-13,15-24,26-42H,14,25H2
InChIKeyXBUFAQLZLUGDBG-UHFFFAOYSA-N
XLogP18.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.16
LogP ≤ 518.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole
CID 139496588
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724

Frequently Asked Questions

What is the IUPAC name of 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole (CID 139319581) is 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole is C1=C(c2ccccc2)c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc6sc7ccccc7c6c5)ccc4-c4ccccc4)cc23)CC1.
What is the InChIKey of 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole?
The InChIKey is XBUFAQLZLUGDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2S/c1-4-15-43(16-5-1)44-27-33-51(34-28-44)67-61-37-31-48(41-58(61)66-53(23-14-25-62(66)67)46-19-8-3-9-20-46)47-30-36-60-56(39-47)54-21-10-12-24-59(54)68(60)63-42-50(29-35-52(63)45-17-6-2-7-18-45)49-32-38-65-57(40-49)55-22-11-13-26-64(55)69-65/h1-13,15-24,26-42H,14,25H2.
What are the key properties of 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole?
9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole has a molecular weight of 897.16 g/mol, XLogP of 18.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-dibenzothiophen-2-yl-2-phenylphenyl)-3-[5-phenyl-9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 139319581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).