9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole

C63H41N5S — CID 174275056

IUPAC9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc(-c5cccc6sc7ccccc7c56)cc43)n2)C=C1
InChIInChI=1S/C63H41N5S/c1-4-20-40(21-5-1)61-64-62(41-22-6-2-7-23-41)66-63(65-61)48-28-12-16-34-53(48)68-52-33-15-11-27-47(52)59-50(38-42(39-55(59)68)44-30-19-37-57-60(44)49-29-13-17-36-56(49)69-57)45-31-18-35-54-58(45)46-26-10-14-32-51(46)67(54)43-24-8-3-9-25-43/h1-22,24-39,41H,23H2
InChIKeyVOIWGTJBZVUASX-UHFFFAOYSA-N
MW900.12 g/mol
LogP16.70
Rot. Bonds7

About 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole

9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 174275056) has the molecular formula C63H41N5S and a molecular weight of 900.12 g/mol. Its IUPAC name is 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole
PubChem CID174275056
Molecular FormulaC63H41N5S
Molecular Weight900.12 g/mol
Exact Mass899.31
IUPAC Name9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc(-c5cccc6sc7ccccc7c56)cc43)n2)C=C1
InChIInChI=1S/C63H41N5S/c1-4-20-40(21-5-1)61-64-62(41-22-6-2-7-23-41)66-63(65-61)48-28-12-16-34-53(48)68-52-33-15-11-27-47(52)59-50(38-42(39-55(59)68)44-30-19-37-57-60(44)49-29-13-17-36-56(49)69-57)45-31-18-35-54-58(45)46-26-10-14-32-51(46)67(54)43-24-8-3-9-25-43/h1-22,24-39,41H,23H2
InChIKeyVOIWGTJBZVUASX-UHFFFAOYSA-N
XLogP16.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.12
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole with MolForge

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Related Compounds

4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273676
2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174275118
5-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 171402420
14-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzothiol-10-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 154968573
9-[2-[4-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-4-ylcarbazole
CID 170137249
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole
CID 174272291
9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174271172
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 160649788
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-(6-phenyldibenzothiophen-1-yl)carbazole
CID 164983690
9-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-4-ylcarbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole
CID 157312394

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole (CID 174275056) is 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole is C1=CCC(c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc(-c5cccc6sc7ccccc7c56)cc43)n2)C=C1.
What is the InChIKey of 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is VOIWGTJBZVUASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5S/c1-4-20-40(21-5-1)61-64-62(41-22-6-2-7-23-41)66-63(65-61)48-28-12-16-34-53(48)68-52-33-15-11-27-47(52)59-50(38-42(39-55(59)68)44-30-19-37-57-60(44)49-29-13-17-36-56(49)69-57)45-31-18-35-54-58(45)46-26-10-14-32-51(46)67(54)43-24-8-3-9-25-43/h1-22,24-39,41H,23H2.
What are the key properties of 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole?
9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 900.12 g/mol, XLogP of 16.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-1-yl-4-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 174275056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).