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

C39H25BrN4 — CID 118448602

IUPAC6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccccc3)cc(-c3ccccc3)c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C39H25BrN4/c40-31-21-22-35-33(25-31)34-24-30(26-13-5-1-6-14-26)23-32(27-15-7-2-8-16-27)36(34)44(35)39-42-37(28-17-9-3-10-18-28)41-38(43-39)29-19-11-4-12-20-29/h1-25H
InChIKeyYFZAHWCXBVBQSX-UHFFFAOYSA-N
MW629.56 g/mol
LogP10.40
Rot. Bonds5

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

6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole (PubChem CID 118448602) has the molecular formula C39H25BrN4 and a molecular weight of 629.56 g/mol. Its IUPAC name is 6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole.

Molecular Properties

Compound Name6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole
PubChem CID118448602
Molecular FormulaC39H25BrN4
Molecular Weight629.56 g/mol
Exact Mass628.13
IUPAC Name6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccccc3)cc(-c3ccccc3)c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C39H25BrN4/c40-31-21-22-35-33(25-31)34-24-30(26-13-5-1-6-14-26)23-32(27-15-7-2-8-16-27)36(34)44(35)39-42-37(28-17-9-3-10-18-28)41-38(43-39)29-19-11-4-12-20-29/h1-25H
InChIKeyYFZAHWCXBVBQSX-UHFFFAOYSA-N
XLogP10.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.56
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole
CID 118052543
3,8,11-triphenyl-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507218
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole
CID 134236150
1-bromo-4-phenylbenzene;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161278194
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
CID 164757777
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414597
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole?
The IUPAC name of 6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole (CID 118448602) is 6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole.
What is the SMILES notation for 6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole?
The canonical SMILES for 6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole is Brc1ccc2c(c1)c1cc(-c3ccccc3)cc(-c3ccccc3)c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole?
The InChIKey is YFZAHWCXBVBQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25BrN4/c40-31-21-22-35-33(25-31)34-24-30(26-13-5-1-6-14-26)23-32(27-15-7-2-8-16-27)36(34)44(35)39-42-37(28-17-9-3-10-18-28)41-38(43-39)29-19-11-4-12-20-29/h1-25H.
What are the key properties of 6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole?
6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole has a molecular weight of 629.56 g/mol, XLogP of 10.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole is sourced from PubChem (CID 118448602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).