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

C51H34N4 — CID 118299151

IUPAC5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5c5cccc(-c7ccccc7)c5n6-c5ccccc5)cc4)c3)n2)cc1
InChIInChI=1S/C51H34N4/c1-5-16-36(17-6-1)44-27-14-28-45-47-43(26-15-29-46(47)55(48(44)45)42-24-11-4-12-25-42)37-32-30-35(31-33-37)40-22-13-23-41(34-40)51-53-49(38-18-7-2-8-19-38)52-50(54-51)39-20-9-3-10-21-39/h1-34H
InChIKeyXLKJWLLNUQUYHB-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

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

5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole (PubChem CID 118299151) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole.

Molecular Properties

Compound Name5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole
PubChem CID118299151
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5c5cccc(-c7ccccc7)c5n6-c5ccccc5)cc4)c3)n2)cc1
InChIInChI=1S/C51H34N4/c1-5-16-36(17-6-1)44-27-14-28-45-47-43(26-15-29-46(47)55(48(44)45)42-24-11-4-12-25-42)37-32-30-35(31-33-37)40-22-13-23-41(34-40)51-53-49(38-18-7-2-8-19-38)52-50(54-51)39-20-9-3-10-21-39/h1-34H
InChIKeyXLKJWLLNUQUYHB-UHFFFAOYSA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164843456
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)-4-[3-[4-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]indolo[2,3-a]carbazole
CID 123867254
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
CID 157305753
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
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
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole
CID 158193193

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole?
The IUPAC name of 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole (CID 118299151) is 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole.
What is the SMILES notation for 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole?
The canonical SMILES for 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5c5cccc(-c7ccccc7)c5n6-c5ccccc5)cc4)c3)n2)cc1.
What is the InChIKey of 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole?
The InChIKey is XLKJWLLNUQUYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-5-16-36(17-6-1)44-27-14-28-45-47-43(26-15-29-46(47)55(48(44)45)42-24-11-4-12-25-42)37-32-30-35(31-33-37)40-22-13-23-41(34-40)51-53-49(38-18-7-2-8-19-38)52-50(54-51)39-20-9-3-10-21-39/h1-34H.
What are the key properties of 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole?
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole is sourced from PubChem (CID 118299151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).