9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole

C48H40N4 — CID 144963901

IUPAC9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole
SMILESCC(C)c1ccc2c3ccc(-c4ccccc4)cc3n(-c3cccc(C4=NC(c5ccccc5)NC(c5ccccc5)N4)c3)c2c1-c1ccccc1
InChIInChI=1S/C48H40N4/c1-32(2)40-28-29-42-41-27-26-37(33-16-7-3-8-17-33)31-43(41)52(45(42)44(40)34-18-9-4-10-19-34)39-25-15-24-38(30-39)48-50-46(35-20-11-5-12-21-35)49-47(51-48)36-22-13-6-14-23-36/h3-32,46-47,49H,1-2H3,(H,50,51)
InChIKeyOZQKMBNJDLZAFI-UHFFFAOYSA-N
MW672.88 g/mol
LogP11.58
Rot. Bonds7

About 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole

9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole (PubChem CID 144963901) has the molecular formula C48H40N4 and a molecular weight of 672.88 g/mol. Its IUPAC name is 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole.

Molecular Properties

Compound Name9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole
PubChem CID144963901
Molecular FormulaC48H40N4
Molecular Weight672.88 g/mol
Exact Mass672.33
IUPAC Name9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole
SMILESCC(C)c1ccc2c3ccc(-c4ccccc4)cc3n(-c3cccc(C4=NC(c5ccccc5)NC(c5ccccc5)N4)c3)c2c1-c1ccccc1
InChIInChI=1S/C48H40N4/c1-32(2)40-28-29-42-41-27-26-37(33-16-7-3-8-17-33)31-43(41)52(45(42)44(40)34-18-9-4-10-19-34)39-25-15-24-38(30-39)48-50-46(35-20-11-5-12-21-35)49-47(51-48)36-22-13-6-14-23-36/h3-32,46-47,49H,1-2H3,(H,50,51)
InChIKeyOZQKMBNJDLZAFI-UHFFFAOYSA-N
XLogP11.58
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.88
LogP ≤ 511.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 145085542
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene
CID 163543654
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 174276849
12-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 145085099
24-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 145080034
11-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylcarbazol-2-yl)benzo[b][1]benzazepine
CID 137010820

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole?
The IUPAC name of 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole (CID 144963901) is 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole.
What is the SMILES notation for 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole?
The canonical SMILES for 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole is CC(C)c1ccc2c3ccc(-c4ccccc4)cc3n(-c3cccc(C4=NC(c5ccccc5)NC(c5ccccc5)N4)c3)c2c1-c1ccccc1.
What is the InChIKey of 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole?
The InChIKey is OZQKMBNJDLZAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N4/c1-32(2)40-28-29-42-41-27-26-37(33-16-7-3-8-17-33)31-43(41)52(45(42)44(40)34-18-9-4-10-19-34)39-25-15-24-38(30-39)48-50-46(35-20-11-5-12-21-35)49-47(51-48)36-22-13-6-14-23-36/h3-32,46-47,49H,1-2H3,(H,50,51).
What are the key properties of 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole?
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole has a molecular weight of 672.88 g/mol, XLogP of 11.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole is sourced from PubChem (CID 144963901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).