5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole

C57H35N5S — CID 135176895

IUPAC5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccn4)c4ccccc4-6)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C57H35N5S/c1-3-17-36(18-4-1)54-59-55(61-56(60-54)44-27-16-26-43-42-25-9-12-30-51(42)63-53(43)44)37-19-15-22-39(33-37)62-49-29-11-8-24-41(49)46-34-45-40-23-7-10-28-47(40)57(48(45)35-50(46)62,38-20-5-2-6-21-38)52-31-13-14-32-58-52/h1-35H
InChIKeyYIOIMKIBQMQUDP-UHFFFAOYSA-N
MW822.01 g/mol
LogP14.10
Rot. Bonds6

About 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole

5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole (PubChem CID 135176895) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole
PubChem CID135176895
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccn4)c4ccccc4-6)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C57H35N5S/c1-3-17-36(18-4-1)54-59-55(61-56(60-54)44-27-16-26-43-42-25-9-12-30-51(42)63-53(43)44)37-19-15-22-39(33-37)62-49-29-11-8-24-41(49)46-34-45-40-23-7-10-28-47(40)57(48(45)35-50(46)62,38-20-5-2-6-21-38)52-31-13-14-32-58-52/h1-35H
InChIKeyYIOIMKIBQMQUDP-UHFFFAOYSA-N
XLogP14.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.01
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole 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

5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166952811
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621277
16-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4(9),10,14,17,19,21,23-nonaene
CID 177086501
9-[3-[4-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 168831658
5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014518
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821282
5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 163717305
5'-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 155160175
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole
CID 170412609

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole?
The IUPAC name of 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole (CID 135176895) is 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccn4)c4ccccc4-6)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole?
The InChIKey is YIOIMKIBQMQUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-3-17-36(18-4-1)54-59-55(61-56(60-54)44-27-16-26-43-42-25-9-12-30-51(42)63-53(43)44)37-19-15-22-39(33-37)62-49-29-11-8-24-41(49)46-34-45-40-23-7-10-28-47(40)57(48(45)35-50(46)62,38-20-5-2-6-21-38)52-31-13-14-32-58-52/h1-35H.
What are the key properties of 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole?
5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole has a molecular weight of 822.01 g/mol, XLogP of 14.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole is sourced from PubChem (CID 135176895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).