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

C39H26N4 — CID 126580254

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C39H26N4/c1-5-13-27(14-6-1)31-22-24-35-34(25-31)33-23-21-32(28-15-7-2-8-16-28)26-36(33)43(35)39-41-37(29-17-9-3-10-18-29)40-38(42-39)30-19-11-4-12-20-30/h1-26H
InChIKeyZLVOZTBPCOJPMN-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.64
Rot. Bonds5

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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole (PubChem CID 126580254) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
PubChem CID126580254
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C39H26N4/c1-5-13-27(14-6-1)31-22-24-35-34(25-31)33-23-21-32(28-15-7-2-8-16-28)26-36(33)43(35)39-41-37(29-17-9-3-10-18-29)40-38(42-39)30-19-11-4-12-20-30/h1-26H
InChIKeyZLVOZTBPCOJPMN-UHFFFAOYSA-N
XLogP9.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087253
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 129197250
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane
CID 144659402
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 88866667
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 163781503
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole (CID 126580254) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole?
The InChIKey is ZLVOZTBPCOJPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-5-13-27(14-6-1)31-22-24-35-34(25-31)33-23-21-32(28-15-7-2-8-16-28)26-36(33)43(35)39-41-37(29-17-9-3-10-18-29)40-38(42-39)30-19-11-4-12-20-30/h1-26H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole has a molecular weight of 550.67 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole is sourced from PubChem (CID 126580254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).