3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole

C58H37N3 — CID 138600375

IUPAC3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5c5cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c56)ccc43)cc2)cc1
InChIInChI=1S/C58H37N3/c1-4-15-38(16-5-1)39-27-31-44(32-28-39)61-55-26-13-12-23-47(55)52-36-43(30-34-56(52)61)42-29-33-49-51(35-42)46-22-11-10-21-45(46)48-24-14-25-50(57(48)49)54-37-53(40-17-6-2-7-18-40)59-58(60-54)41-19-8-3-9-20-41/h1-37H
InChIKeyBVDGHYGYLYFDQC-UHFFFAOYSA-N
MW775.96 g/mol
LogP15.37
Rot. Bonds6

About 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole

3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 138600375) has the molecular formula C58H37N3 and a molecular weight of 775.96 g/mol. Its IUPAC name is 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
PubChem CID138600375
Molecular FormulaC58H37N3
Molecular Weight775.96 g/mol
Exact Mass775.30
IUPAC Name3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5c5cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c56)ccc43)cc2)cc1
InChIInChI=1S/C58H37N3/c1-4-15-38(16-5-1)39-27-31-44(32-28-39)61-55-26-13-12-23-47(55)52-36-43(30-34-56(52)61)42-29-33-49-51(35-42)46-22-11-10-21-45(46)48-24-14-25-50(57(48)49)54-37-53(40-17-6-2-7-18-40)59-58(60-54)41-19-8-3-9-20-41/h1-37H
InChIKeyBVDGHYGYLYFDQC-UHFFFAOYSA-N
XLogP15.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.96
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366763
3-[10-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 138599940
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 138599849
2-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366734
9-naphthalen-2-yl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole
CID 139366428
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
9-(4-phenylphenyl)-2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 139366556
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 89423996
9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 58971485

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole (CID 138600375) is 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5c5cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c56)ccc43)cc2)cc1.
What is the InChIKey of 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is BVDGHYGYLYFDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3/c1-4-15-38(16-5-1)39-27-31-44(32-28-39)61-55-26-13-12-23-47(55)52-36-43(30-34-56(52)61)42-29-33-49-51(35-42)46-22-11-10-21-45(46)48-24-14-25-50(57(48)49)54-37-53(40-17-6-2-7-18-40)59-58(60-54)41-19-8-3-9-20-41/h1-37H.
What are the key properties of 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole?
3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 775.96 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 138600375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).