5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole

C114H72N8 — CID 158650135

IUPAC5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccc5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6ccccc6c5c4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c4c(-c5ccc6c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c7ccccc7c6c5)cccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/2C57H36N4/c1-5-16-37(17-6-1)40-28-33-49-53(36-40)61(43-22-11-4-12-23-43)52-27-15-26-44(54(49)52)41-29-31-47-48-32-30-42(35-51(48)46-25-14-13-24-45(46)50(47)34-41)57-59-55(38-18-7-2-8-19-38)58-56(60-57)39-20-9-3-10-21-39;1-5-16-37(17-6-1)40-30-33-52-51(34-40)54-44(26-15-27-53(54)61(52)43-22-11-4-12-23-43)41-28-31-47-48-32-29-42(36-50(48)46-25-14-13-24-45(46)49(47)35-41)57-59-55(38-18-7-2-8-19-38)58-56(60-57)39-20-9-3-10-21-39/h2*1-36H
InChIKeyIBLHUVWZXVTYIS-UHFFFAOYSA-N
MW1553.89 g/mol
LogP29.53
Rot. Bonds12

About 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole (PubChem CID 158650135) has the molecular formula C114H72N8 and a molecular weight of 1553.89 g/mol. Its IUPAC name is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole.

Molecular Properties

Compound Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole
PubChem CID158650135
Molecular FormulaC114H72N8
Molecular Weight1553.89 g/mol
Exact Mass1552.59
IUPAC Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccc5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6ccccc6c5c4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c4c(-c5ccc6c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c7ccccc7c6c5)cccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/2C57H36N4/c1-5-16-37(17-6-1)40-28-33-49-53(36-40)61(43-22-11-4-12-23-43)52-27-15-26-44(54(49)52)41-29-31-47-48-32-30-42(35-51(48)46-25-14-13-24-45(46)50(47)34-41)57-59-55(38-18-7-2-8-19-38)58-56(60-57)39-20-9-3-10-21-39;1-5-16-37(17-6-1)40-30-33-52-51(34-40)54-44(26-15-27-53(54)61(52)43-22-11-4-12-23-43)41-28-31-47-48-32-29-42(36-50(48)46-25-14-13-24-45(46)49(47)35-41)57-59-55(38-18-7-2-8-19-38)58-56(60-57)39-20-9-3-10-21-39/h2*1-36H
InChIKeyIBLHUVWZXVTYIS-UHFFFAOYSA-N
XLogP29.53
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001553.89
LogP ≤ 529.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole with MolForge

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Related Compounds

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,9-diphenylcarbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-naphthalen-1-yl-9-phenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole
CID 159926626
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
CID 170240277
4-[9-[2-carbazol-9-yl-3-[4-[3-[4-[3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 146325103
9-phenyl-2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 139366558
5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 139303805
6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 134590951
9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-3,9-diphenylcarbazole
CID 146572715

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole?
The IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole (CID 158650135) is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole.
What is the SMILES notation for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole?
The canonical SMILES for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2c(-c4ccc5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6ccccc6c5c4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c4c(-c5ccc6c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c7ccccc7c6c5)cccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole?
The InChIKey is IBLHUVWZXVTYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H36N4/c1-5-16-37(17-6-1)40-28-33-49-53(36-40)61(43-22-11-4-12-23-43)52-27-15-26-44(54(49)52)41-29-31-47-48-32-30-42(35-51(48)46-25-14-13-24-45(46)50(47)34-41)57-59-55(38-18-7-2-8-19-38)58-56(60-57)39-20-9-3-10-21-39;1-5-16-37(17-6-1)40-30-33-52-51(34-40)54-44(26-15-27-53(54)61(52)43-22-11-4-12-23-43)41-28-31-47-48-32-29-42(36-50(48)46-25-14-13-24-45(46)49(47)35-41)57-59-55(38-18-7-2-8-19-38)58-56(60-57)39-20-9-3-10-21-39/h2*1-36H.
What are the key properties of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole?
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole has a molecular weight of 1553.89 g/mol, XLogP of 29.53, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole is sourced from PubChem (CID 158650135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).