8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine

C51H31N5OS — CID 138564686

IUPAC8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6c7c(ccc65)N(c5ccccc5)c5ccccc5S7)cc34)n2)cc1
InChIInChI=1S/C51H31N5OS/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)38-23-14-22-36-39-31-35(27-30-44(39)57-47(36)38)56-40-24-11-10-21-37(40)46-42(56)28-29-43-48(46)58-45-26-13-12-25-41(45)55(43)34-19-8-3-9-20-34/h1-31H
InChIKeyPVQBEGOCSPDOJU-UHFFFAOYSA-N
MW761.91 g/mol
LogP13.80
Rot. Bonds5

About 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine

8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine (PubChem CID 138564686) has the molecular formula C51H31N5OS and a molecular weight of 761.91 g/mol. Its IUPAC name is 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine.

Molecular Properties

Compound Name8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine
PubChem CID138564686
Molecular FormulaC51H31N5OS
Molecular Weight761.91 g/mol
Exact Mass761.22
IUPAC Name8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6c7c(ccc65)N(c5ccccc5)c5ccccc5S7)cc34)n2)cc1
InChIInChI=1S/C51H31N5OS/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)38-23-14-22-36-39-31-35(27-30-44(39)57-47(36)38)56-40-24-11-10-21-37(40)46-42(56)28-29-43-48(46)58-45-26-13-12-25-41(45)55(43)34-19-8-3-9-20-34/h1-31H
InChIKeyPVQBEGOCSPDOJU-UHFFFAOYSA-N
XLogP13.80
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.91
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine 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

10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528475
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 146664768
11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 126629005
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
CID 171591444
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]carbazole
CID 169011410
9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 139342719
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole
CID 167660567
9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080240
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139556325

Frequently Asked Questions

What is the IUPAC name of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine?
The IUPAC name of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine (CID 138564686) is 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine.
What is the SMILES notation for 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine?
The canonical SMILES for 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6c7c(ccc65)N(c5ccccc5)c5ccccc5S7)cc34)n2)cc1.
What is the InChIKey of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine?
The InChIKey is PVQBEGOCSPDOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5OS/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)38-23-14-22-36-39-31-35(27-30-44(39)57-47(36)38)56-40-24-11-10-21-37(40)46-42(56)28-29-43-48(46)58-45-26-13-12-25-41(45)55(43)34-19-8-3-9-20-34/h1-31H.
What are the key properties of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine?
8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine has a molecular weight of 761.91 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine is sourced from PubChem (CID 138564686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).