9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole

C57H35N5S — CID 168807829

IUPAC9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3cccc(-c5ccccc5)c34)nc(-c3cccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)n2)cc1
InChIInChI=1S/C57H35N5S/c1-4-18-36(19-5-1)39-26-17-35-50-51(39)44-29-15-31-46(54(44)63-50)57-59-55(37-20-6-2-7-21-37)58-56(60-57)45-30-14-27-42-40-24-11-13-33-48(40)62(52(42)45)49-34-16-28-43-41-25-10-12-32-47(41)61(53(43)49)38-22-8-3-9-23-38/h1-35H
InChIKeyHPTNWDGZGGAZDA-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

About 9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole

9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole (PubChem CID 168807829) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
PubChem CID168807829
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3cccc(-c5ccccc5)c34)nc(-c3cccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)n2)cc1
InChIInChI=1S/C57H35N5S/c1-4-18-36(19-5-1)39-26-17-35-50-51(39)44-29-15-31-46(54(44)63-50)57-59-55(37-20-6-2-7-21-37)58-56(60-57)45-30-14-27-42-40-24-11-13-33-48(40)62(52(42)45)49-34-16-28-43-41-25-10-12-32-47(41)61(53(43)49)38-22-8-3-9-23-38/h1-35H
InChIKeyHPTNWDGZGGAZDA-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

1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874220
3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602240
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 146616859
9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 163690161
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 171591597
5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 118154221
12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 163934459
7-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 171591706
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-3-pyridinyl]-12-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 167403974
1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648774
12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888288

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
The IUPAC name of 9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole (CID 168807829) is 9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
The canonical SMILES for 9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole is c1ccc(-c2nc(-c3cccc4c3sc3cccc(-c5ccccc5)c34)nc(-c3cccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c34)n2)cc1.
What is the InChIKey of 9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
The InChIKey is HPTNWDGZGGAZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-4-18-36(19-5-1)39-26-17-35-50-51(39)44-29-15-31-46(54(44)63-50)57-59-55(37-20-6-2-7-21-37)58-56(60-57)45-30-14-27-42-40-24-11-13-33-48(40)62(52(42)45)49-34-16-28-43-41-25-10-12-32-47(41)61(53(43)49)38-22-8-3-9-23-38/h1-35H.
What are the key properties of 9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
9-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole 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-phenyl-1-[1-[4-phenyl-6-(9-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 168807829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).