[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane

C69H47N5S — CID 170245107

IUPAC[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)cc1
InChIInChI=1S/C69H47N5S/c1-6-23-48(24-7-1)51-43-52(49-25-8-2-9-26-49)45-53(44-51)68-70-67(50-27-22-34-58(46-50)75(55-28-10-3-11-29-55,56-30-12-4-13-31-56)57-32-14-5-15-33-57)71-69(72-68)74-65-40-21-18-37-61(65)62-47-54(41-42-66(62)74)73-63-38-19-16-35-59(63)60-36-17-20-39-64(60)73/h1-47H
InChIKeyZETLNADGIIUZIX-UHFFFAOYSA-N
MW978.24 g/mol
LogP18.07
Rot. Bonds10

About [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane

[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane (PubChem CID 170245107) has the molecular formula C69H47N5S and a molecular weight of 978.24 g/mol. Its IUPAC name is [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane.

Molecular Properties

Compound Name[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane
PubChem CID170245107
Molecular FormulaC69H47N5S
Molecular Weight978.24 g/mol
Exact Mass977.36
IUPAC Name[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)cc1
InChIInChI=1S/C69H47N5S/c1-6-23-48(24-7-1)51-43-52(49-25-8-2-9-26-49)45-53(44-51)68-70-67(50-27-22-34-58(46-50)75(55-28-10-3-11-29-55,56-30-12-4-13-31-56)57-32-14-5-15-33-57)71-69(72-68)74-65-40-21-18-37-61(65)62-47-54(41-42-66(62)74)73-63-38-19-16-35-59(63)60-36-17-20-39-64(60)73/h1-47H
InChIKeyZETLNADGIIUZIX-UHFFFAOYSA-N
XLogP18.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.24
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane 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

3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163436975
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 134236821
3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 176640493
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane?
The IUPAC name of [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane (CID 170245107) is [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane.
What is the SMILES notation for [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane?
The canonical SMILES for [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)cc1.
What is the InChIKey of [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane?
The InChIKey is ZETLNADGIIUZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N5S/c1-6-23-48(24-7-1)51-43-52(49-25-8-2-9-26-49)45-53(44-51)68-70-67(50-27-22-34-58(46-50)75(55-28-10-3-11-29-55,56-30-12-4-13-31-56)57-32-14-5-15-33-57)71-69(72-68)74-65-40-21-18-37-61(65)62-47-54(41-42-66(62)74)73-63-38-19-16-35-59(63)60-36-17-20-39-64(60)73/h1-47H.
What are the key properties of [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane?
[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane has a molecular weight of 978.24 g/mol, XLogP of 18.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane is sourced from PubChem (CID 170245107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).