9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole

C57H35N5S — CID 163467977

IUPAC9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccc(-c7cccc8sc9ccccc9c78)cc6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1
InChIInChI=1S/C57H35N5S/c1-2-13-36(14-3-1)41-33-34-46-45-17-6-10-22-50(45)62(51(46)35-41)57-59-55(58-56(60-57)61-48-20-8-4-15-43(48)44-16-5-9-21-49(44)61)40-31-27-38(28-32-40)37-25-29-39(30-26-37)42-19-12-24-53-54(42)47-18-7-11-23-52(47)63-53/h1-35H
InChIKeyBUFHBRWNRQPEHA-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

About 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole

9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole (PubChem CID 163467977) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
PubChem CID163467977
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccc(-c7cccc8sc9ccccc9c78)cc6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1
InChIInChI=1S/C57H35N5S/c1-2-13-36(14-3-1)41-33-34-46-45-17-6-10-22-50(45)62(51(46)35-41)57-59-55(58-56(60-57)61-48-20-8-4-15-43(48)44-16-5-9-21-49(44)61)40-31-27-38(28-32-40)37-25-29-39(30-26-37)42-19-12-24-53-54(42)47-18-7-11-23-52(47)63-53/h1-35H
InChIKeyBUFHBRWNRQPEHA-UHFFFAOYSA-N
XLogP15.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.01
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-phenyl-6-[4-[3-(8-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-3-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 158411014
9-[4-[3-(9-dibenzothiophen-1-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358003
9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742562
9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568
9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 159013157
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
9-[4-carbazol-9-yl-6-(2-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742494
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 164933059
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole (CID 163467977) is 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccc(-c7cccc8sc9ccccc9c78)cc6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The InChIKey is BUFHBRWNRQPEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-2-13-36(14-3-1)41-33-34-46-45-17-6-10-22-50(45)62(51(46)35-41)57-59-55(58-56(60-57)61-48-20-8-4-15-43(48)44-16-5-9-21-49(44)61)40-31-27-38(28-32-40)37-25-29-39(30-26-37)42-19-12-24-53-54(42)47-18-7-11-23-52(47)63-53/h1-35H.
What are the key properties of 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole has a molecular weight of 822.01 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 163467977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).