3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole

C48H32N4 — CID 90296243

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(c5ccccc5n3-c3ccccc3)C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C48H32N4/c1-6-18-33(19-7-1)45-49-46(34-20-8-2-9-21-34)51-47(50-45)35-30-31-41-40(32-35)44-43(39-28-16-17-29-42(39)52(44)38-26-14-5-15-27-38)48(41,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h1-32H
InChIKeyGPYFSIAWDFIBCE-UHFFFAOYSA-N
MW664.81 g/mol
LogP11.18
Rot. Bonds6

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole (PubChem CID 90296243) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
PubChem CID90296243
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(c5ccccc5n3-c3ccccc3)C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C48H32N4/c1-6-18-33(19-7-1)45-49-46(34-20-8-2-9-21-34)51-47(50-45)35-30-31-41-40(32-35)44-43(39-28-16-17-29-42(39)52(44)38-26-14-5-15-27-38)48(41,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h1-32H
InChIKeyGPYFSIAWDFIBCE-UHFFFAOYSA-N
XLogP11.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole with MolForge

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Related Compounds

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
CID 90296256
5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]
CID 159515006
9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 159443328
12-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037543
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole
CID 129290230
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole
CID 162483839
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155278950
12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 161266285
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 158116203

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole (CID 90296243) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(c5ccccc5n3-c3ccccc3)C4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole?
The InChIKey is GPYFSIAWDFIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-6-18-33(19-7-1)45-49-46(34-20-8-2-9-21-34)51-47(50-45)35-30-31-41-40(32-35)44-43(39-28-16-17-29-42(39)52(44)38-26-14-5-15-27-38)48(41,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h1-32H.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole has a molecular weight of 664.81 g/mol, XLogP of 11.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole is sourced from PubChem (CID 90296243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).