1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole

C56H37N5 — CID 167363642

IUPAC1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)c3)nc(-c3cccc4c3[nH]c3ccccc34)n2)cc1
InChIInChI=1S/C56H37N5/c1-6-20-37(21-7-1)49-48(50(38-22-8-2-9-23-38)52(40-26-12-4-13-27-40)58-51(49)39-24-10-3-11-25-39)42-30-18-31-43(36-42)55-59-54(41-28-14-5-15-29-41)60-56(61-55)46-34-19-33-45-44-32-16-17-35-47(44)57-53(45)46/h1-36,57H
InChIKeyLWTGMNHXEYZLQO-UHFFFAOYSA-N
MW779.95 g/mol
LogP14.24
Rot. Bonds8

About 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole

1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole (PubChem CID 167363642) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole
PubChem CID167363642
Molecular FormulaC56H37N5
Molecular Weight779.95 g/mol
Exact Mass779.30
IUPAC Name1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)c3)nc(-c3cccc4c3[nH]c3ccccc34)n2)cc1
InChIInChI=1S/C56H37N5/c1-6-20-37(21-7-1)49-48(50(38-22-8-2-9-23-38)52(40-26-12-4-13-27-40)58-51(49)39-24-10-3-11-25-39)42-30-18-31-43(36-42)55-59-54(41-28-14-5-15-29-41)60-56(61-55)46-34-19-33-45-44-32-16-17-35-47(44)57-53(45)46/h1-36,57H
InChIKeyLWTGMNHXEYZLQO-UHFFFAOYSA-N
XLogP14.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.95
LogP ≤ 514.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
CID 118448496
2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine
CID 167363777
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126492498
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 167363792
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 163586417
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 167363756
2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363684
4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363817
4,6-bis(4-phenylphenyl)-2-[3-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363690
4,6-bis(3-phenylphenyl)-2-[4-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363784
2-(3,5-diphenylphenyl)-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158602628

Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole?
The IUPAC name of 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole (CID 167363642) is 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole.
What is the SMILES notation for 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole?
The canonical SMILES for 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole is c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)c3)nc(-c3cccc4c3[nH]c3ccccc34)n2)cc1.
What is the InChIKey of 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole?
The InChIKey is LWTGMNHXEYZLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-6-20-37(21-7-1)49-48(50(38-22-8-2-9-23-38)52(40-26-12-4-13-27-40)58-51(49)39-24-10-3-11-25-39)42-30-18-31-43(36-42)55-59-54(41-28-14-5-15-29-41)60-56(61-55)46-34-19-33-45-44-32-16-17-35-47(44)57-53(45)46/h1-36,57H.
What are the key properties of 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole?
1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole has a molecular weight of 779.95 g/mol, XLogP of 14.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole is sourced from PubChem (CID 167363642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).