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

C46H32N4 — CID 146506354

IUPAC9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cc4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C46H32N4/c1-3-11-36(12-4-1)44-47-45(37-13-5-2-6-14-37)49-46(48-44)38-25-21-33(22-26-38)31-32-19-23-34(24-20-32)35-27-29-39(30-28-35)50-42-17-9-7-15-40(42)41-16-8-10-18-43(41)50/h1-30H,31H2
InChIKeyBPVHYENYVNOUIS-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.23
Rot. Bonds7

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

9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole (PubChem CID 146506354) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole
PubChem CID146506354
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cc4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C46H32N4/c1-3-11-36(12-4-1)44-47-45(37-13-5-2-6-14-37)49-46(48-44)38-25-21-33(22-26-38)31-32-19-23-34(24-20-32)35-27-29-39(30-28-35)50-42-17-9-7-15-40(42)41-16-8-10-18-43(41)50/h1-30H,31H2
InChIKeyBPVHYENYVNOUIS-UHFFFAOYSA-N
XLogP11.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
9-[4-[4-[4-[4-[3-[4-[4,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 58943409
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158533687

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole (CID 146506354) is 9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cc4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)n2)cc1.
What is the InChIKey of 9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole?
The InChIKey is BPVHYENYVNOUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-3-11-36(12-4-1)44-47-45(37-13-5-2-6-14-37)49-46(48-44)38-25-21-33(22-26-38)31-32-19-23-34(24-20-32)35-27-29-39(30-28-35)50-42-17-9-7-15-40(42)41-16-8-10-18-43(41)50/h1-30H,31H2.
What are the key properties of 9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole?
9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole has a molecular weight of 640.79 g/mol, XLogP of 11.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 146506354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).