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

C56H36N6 — CID 121306178

IUPAC2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c5c4)c3)n2)cc1
InChIInChI=1S/C56H36N6/c1-4-14-38(15-5-1)54-58-55(39-16-6-2-7-17-39)60-56(59-54)43-32-42(35-57-36-43)41-27-31-49-47-21-11-13-23-51(47)62(53(49)34-41)45-28-24-37(25-29-45)40-26-30-48-46-20-10-12-22-50(46)61(52(48)33-40)44-18-8-3-9-19-44/h1-36H
InChIKeyVWSPGIHBBAVKKD-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.80
Rot. Bonds7

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

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole (PubChem CID 121306178) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
PubChem CID121306178
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c5c4)c3)n2)cc1
InChIInChI=1S/C56H36N6/c1-4-14-38(15-5-1)54-58-55(39-16-6-2-7-17-39)60-56(59-54)43-32-42(35-57-36-43)41-27-31-49-47-21-11-13-23-51(47)62(53(49)34-41)45-28-24-37(25-29-45)40-26-30-48-46-20-10-12-22-50(46)61(52(48)33-40)44-18-8-3-9-19-44/h1-36H
InChIKeyVWSPGIHBBAVKKD-UHFFFAOYSA-N
XLogP13.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287146
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 88878761
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole (CID 121306178) is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The canonical SMILES for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cncc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c5c4)c3)n2)cc1.
What is the InChIKey of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The InChIKey is VWSPGIHBBAVKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-4-14-38(15-5-1)54-58-55(39-16-6-2-7-17-39)60-56(59-54)43-32-42(35-57-36-43)41-27-31-49-47-21-11-13-23-51(47)62(53(49)34-41)45-28-24-37(25-29-45)40-26-30-48-46-20-10-12-22-50(46)61(52(48)33-40)44-18-8-3-9-19-44/h1-36H.
What are the key properties of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole has a molecular weight of 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 121306178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).