9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole

C69H43N5S — CID 139303270

IUPAC9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc5sc6ccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9cccc(-c%10ccccc%10)c98)n7)cc6c5c4)c3)c2)cc1
InChIInChI=1S/C69H43N5S/c1-4-18-44(19-5-1)47-24-16-25-48(40-47)49-34-37-63(73-60-31-13-10-26-53(60)54-27-11-14-32-61(54)73)57(41-49)50-35-38-64-58(42-50)59-43-51(36-39-65(59)75-64)68-70-67(46-22-8-3-9-23-46)71-69(72-68)74-62-33-15-12-28-55(62)56-30-17-29-52(66(56)74)45-20-6-2-7-21-45/h1-43H
InChIKeyUAGVCJHFNYVMCW-UHFFFAOYSA-N
MW974.21 g/mol
LogP18.44
Rot. Bonds8

About 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole

9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole (PubChem CID 139303270) has the molecular formula C69H43N5S and a molecular weight of 974.21 g/mol. Its IUPAC name is 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
PubChem CID139303270
Molecular FormulaC69H43N5S
Molecular Weight974.21 g/mol
Exact Mass973.32
IUPAC Name9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc5sc6ccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9cccc(-c%10ccccc%10)c98)n7)cc6c5c4)c3)c2)cc1
InChIInChI=1S/C69H43N5S/c1-4-18-44(19-5-1)47-24-16-25-48(40-47)49-34-37-63(73-60-31-13-10-26-53(60)54-27-11-14-32-61(54)73)57(41-49)50-35-38-64-58(42-50)59-43-51(36-39-65(59)75-64)68-70-67(46-22-8-3-9-23-46)71-69(72-68)74-62-33-15-12-28-55(62)56-30-17-29-52(66(56)74)45-20-6-2-7-21-45/h1-43H
InChIKeyUAGVCJHFNYVMCW-UHFFFAOYSA-N
XLogP18.44
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.21
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole 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

9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 139303080
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303605
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165397
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
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
5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
CID 163796934
9-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500030
9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
CID 139303631
11-[2-phenyl-4-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167154429

Frequently Asked Questions

What is the IUPAC name of 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?
The IUPAC name of 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole (CID 139303270) is 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole.
What is the SMILES notation for 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?
The canonical SMILES for 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc5sc6ccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9cccc(-c%10ccccc%10)c98)n7)cc6c5c4)c3)c2)cc1.
What is the InChIKey of 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?
The InChIKey is UAGVCJHFNYVMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5S/c1-4-18-44(19-5-1)47-24-16-25-48(40-47)49-34-37-63(73-60-31-13-10-26-53(60)54-27-11-14-32-61(54)73)57(41-49)50-35-38-64-58(42-50)59-43-51(36-39-65(59)75-64)68-70-67(46-22-8-3-9-23-46)71-69(72-68)74-62-33-15-12-28-55(62)56-30-17-29-52(66(56)74)45-20-6-2-7-21-45/h1-43H.
What are the key properties of 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?
9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole has a molecular weight of 974.21 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole is sourced from PubChem (CID 139303270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).