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

C48H31N7 — CID 137421138

IUPAC9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C48H31N7/c1-5-17-32(18-6-1)43-49-44(33-19-7-2-8-20-33)52-47(51-43)36-29-30-42(55-40-27-15-13-25-37(40)38-26-14-16-28-41(38)55)39(31-36)48-53-45(34-21-9-3-10-22-34)50-46(54-48)35-23-11-4-12-24-35/h1-31H
InChIKeyMZHTZALJKORTHO-UHFFFAOYSA-N
MW705.83 g/mol
LogP11.16
Rot. Bonds7

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

9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 137421138) has the molecular formula C48H31N7 and a molecular weight of 705.83 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID137421138
Molecular FormulaC48H31N7
Molecular Weight705.83 g/mol
Exact Mass705.26
IUPAC Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C48H31N7/c1-5-17-32(18-6-1)43-49-44(33-19-7-2-8-20-33)52-47(51-43)36-29-30-42(55-40-27-15-13-25-37(40)38-26-14-16-28-41(38)55)39(31-36)48-53-45(34-21-9-3-10-22-34)50-46(54-48)35-23-11-4-12-24-35/h1-31H
InChIKeyMZHTZALJKORTHO-UHFFFAOYSA-N
XLogP11.16
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.83
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574
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-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
CID 174289219
CID 174289219
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-fluorophenyl)phenyl]carbazole
CID 138549730
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162486312
9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 147194061
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 162481748

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 137421138) is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is MZHTZALJKORTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7/c1-5-17-32(18-6-1)43-49-44(33-19-7-2-8-20-33)52-47(51-43)36-29-30-42(55-40-27-15-13-25-37(40)38-26-14-16-28-41(38)55)39(31-36)48-53-45(34-21-9-3-10-22-34)50-46(54-48)35-23-11-4-12-24-35/h1-31H.
What are the key properties of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 705.83 g/mol, XLogP of 11.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 137421138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).