5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole

C52H38N6 — CID 70912403

IUPAC5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole
SMILESCC12C=CC=CC1c1ccc3c(c1N2c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1n3C1N=C(c2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C52H38N6/c1-52-32-16-15-25-42(52)39-29-31-46-47(48(39)58(52)37-28-30-45-41(33-37)38-23-11-13-26-43(38)56(45)36-21-9-4-10-22-36)40-24-12-14-27-44(40)57(46)51-54-49(34-17-5-2-6-18-34)53-50(55-51)35-19-7-3-8-20-35/h2-33,42,51H,1H3,(H,53,54,55)
InChIKeyKZFFDTJMUMBFRU-UHFFFAOYSA-N
MW746.92 g/mol
LogP11.96
Rot. Bonds5

About 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole

5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole (PubChem CID 70912403) has the molecular formula C52H38N6 and a molecular weight of 746.92 g/mol. Its IUPAC name is 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole
PubChem CID70912403
Molecular FormulaC52H38N6
Molecular Weight746.92 g/mol
Exact Mass746.32
IUPAC Name5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole
SMILESCC12C=CC=CC1c1ccc3c(c1N2c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1n3C1N=C(c2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C52H38N6/c1-52-32-16-15-25-42(52)39-29-31-46-47(48(39)58(52)37-28-30-45-41(33-37)38-23-11-13-26-43(38)56(45)36-21-9-4-10-22-36)40-24-12-14-27-44(40)57(46)51-54-49(34-17-5-2-6-18-34)53-50(55-51)35-19-7-3-8-20-35/h2-33,42,51H,1H3,(H,53,54,55)
InChIKeyKZFFDTJMUMBFRU-UHFFFAOYSA-N
XLogP11.96
TPSA49.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.92
LogP ≤ 511.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]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

5,9-diphenyl-14-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 174277243
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 90247491
5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole
CID 167216997
7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 166961159
6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole
CID 147834025
5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 162363414
9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]-8a-methyl-4bH-carbazole-3-carboxylic acid
CID 163728722
12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163666254
3-[9-[3-[3-[5-[3-[8a-methyl-9-(2-phenylphenyl)-4bH-carbazol-3-yl]carbazol-9-yl]naphthalen-1-yl]phenyl]phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 163664569
2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole
CID 121262423
3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole
CID 145381358
9-(4-phenylphenyl)-14-[3-[4-[3-[4-[3-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-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
CID 139480563

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole?
The IUPAC name of 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole (CID 70912403) is 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole?
The canonical SMILES for 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole is CC12C=CC=CC1c1ccc3c(c1N2c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1n3C1N=C(c2ccccc2)NC(c2ccccc2)=N1.
What is the InChIKey of 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole?
The InChIKey is KZFFDTJMUMBFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N6/c1-52-32-16-15-25-42(52)39-29-31-46-47(48(39)58(52)37-28-30-45-41(33-37)38-23-11-13-26-43(38)56(45)36-21-9-4-10-22-36)40-24-12-14-27-44(40)57(46)51-54-49(34-17-5-2-6-18-34)53-50(55-51)35-19-7-3-8-20-35/h2-33,42,51H,1H3,(H,53,54,55).
What are the key properties of 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole?
5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole has a molecular weight of 746.92 g/mol, XLogP of 11.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole is sourced from PubChem (CID 70912403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).