5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole

C48H36N8 — CID 123991546

IUPAC5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole
SMILESC1=CC2c3cc4c(cc3N(C3=NC(c5ccccc5)N=C(c5ccccc5)N3)C2C=C1)c1ccccc1n4C1=NC(c2ccccc2)N=C(c2ccccc2)N1
InChIInChI=1S/C48H36N8/c1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-39-27-15-13-25-35(39)37-30-42-38(29-41(37)55)36-26-14-16-28-40(36)56(42)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34/h1-30,35,39,43,45H,(H,49,51,52)(H,50,53,54)
InChIKeyHYCCSIZGQWVBCN-UHFFFAOYSA-N
MW724.87 g/mol
LogP9.25
Rot. Bonds4

About 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole

5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole (PubChem CID 123991546) has the molecular formula C48H36N8 and a molecular weight of 724.87 g/mol. Its IUPAC name is 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole
PubChem CID123991546
Molecular FormulaC48H36N8
Molecular Weight724.87 g/mol
Exact Mass724.31
IUPAC Name5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole
SMILESC1=CC2c3cc4c(cc3N(C3=NC(c5ccccc5)N=C(c5ccccc5)N3)C2C=C1)c1ccccc1n4C1=NC(c2ccccc2)N=C(c2ccccc2)N1
InChIInChI=1S/C48H36N8/c1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-39-27-15-13-25-35(39)37-30-42-38(29-41(37)55)36-26-14-16-28-40(36)56(42)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34/h1-30,35,39,43,45H,(H,49,51,52)(H,50,53,54)
InChIKeyHYCCSIZGQWVBCN-UHFFFAOYSA-N
XLogP9.25
TPSA81.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.87
LogP ≤ 59.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-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

12-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-6b,10a-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 144564741
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 134416527
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
CID 174276647
5-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166915553
8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene
CID 129311301
5-[2-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166961031
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
9-[9-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]-4a,9a-dihydrocarbazole
CID 166962602
9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961286

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole (CID 123991546) is 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole is C1=CC2c3cc4c(cc3N(C3=NC(c5ccccc5)N=C(c5ccccc5)N3)C2C=C1)c1ccccc1n4C1=NC(c2ccccc2)N=C(c2ccccc2)N1.
What is the InChIKey of 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole?
The InChIKey is HYCCSIZGQWVBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N8/c1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-39-27-15-13-25-35(39)37-30-42-38(29-41(37)55)36-26-14-16-28-40(36)56(42)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34/h1-30,35,39,43,45H,(H,49,51,52)(H,50,53,54).
What are the key properties of 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole?
5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole has a molecular weight of 724.87 g/mol, XLogP of 9.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 123991546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).