2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole

C47H30N4 — CID 169053649

IUPAC2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5cccc6c5Cc5ccccc5-6)cc43)nc3c4ccccc4c(-c4ccccc4)n23)cc1
InChIInChI=1S/C47H30N4/c1-3-14-30(15-4-1)44-39-21-9-10-22-40(39)46-49-47(48-45(51(44)46)31-16-5-2-6-17-31)50-42-25-12-11-20-37(42)38-27-26-33(29-43(38)50)35-23-13-24-36-34-19-8-7-18-32(34)28-41(35)36/h1-27,29H,28H2
InChIKeyHZILKYYFYUUGJX-UHFFFAOYSA-N
MW650.79 g/mol
LogP11.55
Rot. Bonds4

About 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole

2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole (PubChem CID 169053649) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole.

Molecular Properties

Compound Name2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
PubChem CID169053649
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5cccc6c5Cc5ccccc5-6)cc43)nc3c4ccccc4c(-c4ccccc4)n23)cc1
InChIInChI=1S/C47H30N4/c1-3-14-30(15-4-1)44-39-21-9-10-22-40(39)46-49-47(48-45(51(44)46)31-16-5-2-6-17-31)50-42-25-12-11-20-37(42)38-27-26-33(29-43(38)50)35-23-13-24-36-34-19-8-7-18-32(34)28-41(35)36/h1-27,29H,28H2
InChIKeyHZILKYYFYUUGJX-UHFFFAOYSA-N
XLogP11.55
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole 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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742480
9-(4,6-diphenylpyrimidin-2-yl)-3-(9H-fluoren-1-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole
CID 158745000
3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 145016968
6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole
CID 169053412
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole
CID 121287012
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
4-(4-phenyl-5H-indeno[1,2-d]pyrimidin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122469722
9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742610
9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
CID 157068240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole?
The IUPAC name of 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole (CID 169053649) is 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole.
What is the SMILES notation for 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole?
The canonical SMILES for 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole is c1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5cccc6c5Cc5ccccc5-6)cc43)nc3c4ccccc4c(-c4ccccc4)n23)cc1.
What is the InChIKey of 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole?
The InChIKey is HZILKYYFYUUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-3-14-30(15-4-1)44-39-21-9-10-22-40(39)46-49-47(48-45(51(44)46)31-16-5-2-6-17-31)50-42-25-12-11-20-37(42)38-27-26-33(29-43(38)50)35-23-13-24-36-34-19-8-7-18-32(34)28-41(35)36/h1-27,29H,28H2.
What are the key properties of 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole?
2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole has a molecular weight of 650.79 g/mol, XLogP of 11.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-fluoren-1-yl)carbazol-9-yl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole is sourced from PubChem (CID 169053649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).