1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole

C57H37N5 — CID 134598241

IUPAC1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1
InChIInChI=1S/C57H37N5/c1-5-17-39(18-6-1)55-58-56(40-19-7-2-8-20-40)60-57(59-55)41-31-29-38(30-32-41)46-35-34-45(53-48-26-14-16-28-51(48)62(54(46)53)44-23-11-4-12-24-44)42-33-36-52-49(37-42)47-25-13-15-27-50(47)61(52)43-21-9-3-10-22-43/h1-37H
InChIKeyGUZBQAIVTWTLDH-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

About 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole

1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 134598241) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
PubChem CID134598241
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1
InChIInChI=1S/C57H37N5/c1-5-17-39(18-6-1)55-58-56(40-19-7-2-8-20-40)60-57(59-55)41-31-29-38(30-32-41)46-35-34-45(53-48-26-14-16-28-51(48)62(54(46)53)44-23-11-4-12-24-44)42-33-36-52-49(37-42)47-25-13-15-27-50(47)61(52)43-21-9-3-10-22-43/h1-37H
InChIKeyGUZBQAIVTWTLDH-UHFFFAOYSA-N
XLogP14.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)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

4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648753
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 166037080
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 126628134
1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole
CID 121449215
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,18,27-triphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaene
CID 163546560
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648747
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
CID 160854312

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole (CID 134598241) is 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.
What is the InChIKey of 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is GUZBQAIVTWTLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-5-17-39(18-6-1)55-58-56(40-19-7-2-8-20-40)60-57(59-55)41-31-29-38(30-32-41)46-35-34-45(53-48-26-14-16-28-51(48)62(54(46)53)44-23-11-4-12-24-44)42-33-36-52-49(37-42)47-25-13-15-27-50(47)61(52)43-21-9-3-10-22-43/h1-37H.
What are the key properties of 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole?
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 134598241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).