12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole

C43H35N5 — CID 123495485

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole
SMILESCCC1=CC2c3ccc4c5cc(CC)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C43H35N5/c1-3-28-20-24-37-35(26-28)33-22-23-34-36-27-29(4-2)21-25-38(36)48(40(34)39(33)47(37)32-18-12-7-13-19-32)43-45-41(30-14-8-5-9-15-30)44-42(46-43)31-16-10-6-11-17-31/h5-27,35,37H,3-4H2,1-2H3
InChIKeyZVPQBKMEYVUCDF-UHFFFAOYSA-N
MW621.79 g/mol
LogP10.38
Rot. Bonds6

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole (PubChem CID 123495485) has the molecular formula C43H35N5 and a molecular weight of 621.79 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole
PubChem CID123495485
Molecular FormulaC43H35N5
Molecular Weight621.79 g/mol
Exact Mass621.29
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole
SMILESCCC1=CC2c3ccc4c5cc(CC)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C43H35N5/c1-3-28-20-24-37-35(26-28)33-22-23-34-36-27-29(4-2)21-25-38(36)48(40(34)39(33)47(37)32-18-12-7-13-19-32)43-45-41(30-14-8-5-9-15-30)44-42(46-43)31-16-10-6-11-17-31/h5-27,35,37H,3-4H2,1-2H3
InChIKeyZVPQBKMEYVUCDF-UHFFFAOYSA-N
XLogP10.38
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.79
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]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

11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 123849393
(4aR)-12-(3-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170023088
12-[4,6-bis(3-octylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 157107156
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 139479529
butane;3,8-dibutyl-11-phenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 142314968
12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118504548
11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 167285574
3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799955
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799957
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
CID 88867268
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazole
CID 134271208
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-dimethyl-5-phenylindolo[3,2-c]carbazole
CID 142315008

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole (CID 123495485) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole is CCC1=CC2c3ccc4c5cc(CC)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3N(c3ccccc3)C2C=C1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole?
The InChIKey is ZVPQBKMEYVUCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N5/c1-3-28-20-24-37-35(26-28)33-22-23-34-36-27-29(4-2)21-25-38(36)48(40(34)39(33)47(37)32-18-12-7-13-19-32)43-45-41(30-14-8-5-9-15-30)44-42(46-43)31-16-10-6-11-17-31/h5-27,35,37H,3-4H2,1-2H3.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole has a molecular weight of 621.79 g/mol, XLogP of 10.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 123495485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).