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

C56H37N5 — CID 174287515

IUPAC9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C56H37N5/c1-6-18-38(19-7-1)43-30-32-47-46-28-16-17-29-51(46)61(53(47)37-43)52-33-31-44(50-36-45(39-20-8-2-9-21-39)35-49(57-50)40-22-10-3-11-23-40)34-48(52)56-59-54(41-24-12-4-13-25-41)58-55(60-56)42-26-14-5-15-27-42/h1-37H
InChIKeyQHAQIJMEJOASEN-UHFFFAOYSA-N
MW779.95 g/mol
LogP14.03
Rot. Bonds8

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

9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole (PubChem CID 174287515) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole
PubChem CID174287515
Molecular FormulaC56H37N5
Molecular Weight779.95 g/mol
Exact Mass779.30
IUPAC Name9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C56H37N5/c1-6-18-38(19-7-1)43-30-32-47-46-28-16-17-29-51(46)61(53(47)37-43)52-33-31-44(50-36-45(39-20-8-2-9-21-39)35-49(57-50)40-22-10-3-11-23-40)34-48(52)56-59-54(41-24-12-4-13-25-41)58-55(60-56)42-26-14-5-15-27-42/h1-37H
InChIKeyQHAQIJMEJOASEN-UHFFFAOYSA-N
XLogP14.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.95
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137420946
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 137414844
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137421193
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414830
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421368
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232535
2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648371
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
3-(3,5-dimethylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421384
2-phenyl-9-[2-phenyl-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539049
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578743

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole (CID 174287515) is 9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole?
The InChIKey is QHAQIJMEJOASEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-6-18-38(19-7-1)43-30-32-47-46-28-16-17-29-51(46)61(53(47)37-43)52-33-31-44(50-36-45(39-20-8-2-9-21-39)35-49(57-50)40-22-10-3-11-23-40)34-48(52)56-59-54(41-24-12-4-13-25-41)58-55(60-56)42-26-14-5-15-27-42/h1-37H.
What are the key properties of 9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole?
9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole has a molecular weight of 779.95 g/mol, XLogP of 14.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole is sourced from PubChem (CID 174287515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).