3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole

C46H29N5O — CID 154596555

IUPAC3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6cccc(-c7nn(-c8ccccc8)c8ccccc78)c6)cc5c4c3)n2)cc1
InChIInChI=1S/C46H29N5O/c1-4-13-30(14-5-1)44-47-45(31-15-6-2-7-16-31)49-46(48-44)35-24-26-42-39(29-35)38-28-33(23-25-41(38)52-42)32-17-12-18-34(27-32)43-37-21-10-11-22-40(37)51(50-43)36-19-8-3-9-20-36/h1-29H
InChIKeyMITQGNRQZMCBAS-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.44
Rot. Bonds6

About 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole

3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole (PubChem CID 154596555) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole.

Molecular Properties

Compound Name3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole
PubChem CID154596555
Molecular FormulaC46H29N5O
Molecular Weight667.77 g/mol
Exact Mass667.24
IUPAC Name3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6cccc(-c7nn(-c8ccccc8)c8ccccc78)c6)cc5c4c3)n2)cc1
InChIInChI=1S/C46H29N5O/c1-4-13-30(14-5-1)44-47-45(31-15-6-2-7-16-31)49-46(48-44)35-24-26-42-39(29-35)38-28-33(23-25-41(38)52-42)32-17-12-18-34(27-32)43-37-21-10-11-22-40(37)51(50-43)36-19-8-3-9-20-36/h1-29H
InChIKeyMITQGNRQZMCBAS-UHFFFAOYSA-N
XLogP11.44
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole 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

3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[8-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 159222480
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
9-(8-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080657
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201210
1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163611677

Frequently Asked Questions

What is the IUPAC name of 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole?
The IUPAC name of 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole (CID 154596555) is 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole.
What is the SMILES notation for 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole?
The canonical SMILES for 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6cccc(-c7nn(-c8ccccc8)c8ccccc78)c6)cc5c4c3)n2)cc1.
What is the InChIKey of 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole?
The InChIKey is MITQGNRQZMCBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c1-4-13-30(14-5-1)44-47-45(31-15-6-2-7-16-31)49-46(48-44)35-24-26-42-39(29-35)38-28-33(23-25-41(38)52-42)32-17-12-18-34(27-32)43-37-21-10-11-22-40(37)51(50-43)36-19-8-3-9-20-36/h1-29H.
What are the key properties of 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole?
3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole has a molecular weight of 667.77 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1-phenylindazole is sourced from PubChem (CID 154596555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).