5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole

C68H40N4S — CID 170412609

IUPAC5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cccc4c3sc3cc(-n5c6ccccc6c6cc(-c7ccccc7)c7ccccc7c65)ccc34)n2)cc1
InChIInChI=1S/C68H40N4S/c1-3-18-41(19-4-1)55-40-56-50-26-12-16-33-61(50)72(63(56)52-27-8-7-22-45(52)55)44-35-37-51-53-28-17-29-54(64(53)73-62(51)39-44)67-70-65(42-20-5-2-6-21-42)69-66(71-67)43-34-36-49-48-25-11-15-32-59(48)68(60(49)38-43)57-30-13-9-23-46(57)47-24-10-14-31-58(47)68/h1-40H
InChIKeyORYPOLZKCWKSSJ-UHFFFAOYSA-N
MW945.16 g/mol
LogP17.50
Rot. Bonds5

About 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole

5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole (PubChem CID 170412609) has the molecular formula C68H40N4S and a molecular weight of 945.16 g/mol. Its IUPAC name is 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole.

Molecular Properties

Compound Name5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole
PubChem CID170412609
Molecular FormulaC68H40N4S
Molecular Weight945.16 g/mol
Exact Mass944.30
IUPAC Name5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cccc4c3sc3cc(-n5c6ccccc6c6cc(-c7ccccc7)c7ccccc7c65)ccc34)n2)cc1
InChIInChI=1S/C68H40N4S/c1-3-18-41(19-4-1)55-40-56-50-26-12-16-33-61(50)72(63(56)52-27-8-7-22-45(52)55)44-35-37-51-53-28-17-29-54(64(53)73-62(51)39-44)67-70-65(42-20-5-2-6-21-42)69-66(71-67)43-34-36-49-48-25-11-15-32-59(48)68(60(49)38-43)57-30-13-9-23-46(57)47-24-10-14-31-58(47)68/h1-40H
InChIKeyORYPOLZKCWKSSJ-UHFFFAOYSA-N
XLogP17.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.16
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 146616859
9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 169059405
9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
CID 156577869
2'-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 146669947
9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 146617191
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole
CID 165067702
9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 174170327
9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 163428513
12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylphenyl)phenyl]carbazole
CID 163810171

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole?
The IUPAC name of 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole (CID 170412609) is 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole.
What is the SMILES notation for 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole?
The canonical SMILES for 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cccc4c3sc3cc(-n5c6ccccc6c6cc(-c7ccccc7)c7ccccc7c65)ccc34)n2)cc1.
What is the InChIKey of 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole?
The InChIKey is ORYPOLZKCWKSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N4S/c1-3-18-41(19-4-1)55-40-56-50-26-12-16-33-61(50)72(63(56)52-27-8-7-22-45(52)55)44-35-37-51-53-28-17-29-54(64(53)73-62(51)39-44)67-70-65(42-20-5-2-6-21-42)69-66(71-67)43-34-36-49-48-25-11-15-32-59(48)68(60(49)38-43)57-30-13-9-23-46(57)47-24-10-14-31-58(47)68/h1-40H.
What are the key properties of 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole?
5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole has a molecular weight of 945.16 g/mol, XLogP of 17.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole is sourced from PubChem (CID 170412609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).