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

C155H98N12 — CID 158193193

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6cccc7c6c6cccc(-c8ccccc8)c6n7-c6ccccc6)cc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6ccc7ccccc7c6c5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C57H36N4.C51H32N4.C47H30N4/c1-5-17-37(18-6-1)44-28-15-29-49-53-43(27-16-30-52(53)61(54(44)49)42-23-11-4-12-24-42)40-31-33-47-48-34-32-41(36-51(48)46-26-14-13-25-45(46)50(47)35-40)57-59-55(38-19-7-2-8-20-38)58-56(60-57)39-21-9-3-10-22-39;1-4-15-33(16-5-1)49-52-50(34-17-6-2-7-18-34)54-51(53-49)43-25-14-26-47-48(43)45-32-36(28-30-46(45)55(47)37-19-8-3-9-20-37)35-27-29-42-40-23-11-10-21-38(40)39-22-12-13-24-41(39)44(42)31-35;1-4-14-33(15-5-1)45-48-46(34-16-6-2-7-17-34)50-47(49-45)39-21-12-22-43-44(39)41-30-36(27-28-42(41)51(43)37-18-8-3-9-19-37)35-26-25-32-24-23-31-13-10-11-20-38(31)40(32)29-35/h1-36H;1-32H;1-30H
InChIKeyGAACLISPXPDHIP-UHFFFAOYSA-N
MW2128.57 g/mol
LogP39.80
Rot. Bonds16

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole (PubChem CID 158193193) has the molecular formula C155H98N12 and a molecular weight of 2128.57 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole
PubChem CID158193193
Molecular FormulaC155H98N12
Molecular Weight2128.57 g/mol
Exact Mass2126.80
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6cccc7c6c6cccc(-c8ccccc8)c6n7-c6ccccc6)cc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6ccc7ccccc7c6c5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C57H36N4.C51H32N4.C47H30N4/c1-5-17-37(18-6-1)44-28-15-29-49-53-43(27-16-30-52(53)61(54(44)49)42-23-11-4-12-24-42)40-31-33-47-48-34-32-41(36-51(48)46-26-14-13-25-45(46)50(47)35-40)57-59-55(38-19-7-2-8-20-38)58-56(60-57)39-21-9-3-10-22-39;1-4-15-33(16-5-1)49-52-50(34-17-6-2-7-18-34)54-51(53-49)43-25-14-26-47-48(43)45-32-36(28-30-46(45)55(47)37-19-8-3-9-20-37)35-27-29-42-40-23-11-10-21-38(40)39-22-12-13-24-41(39)44(42)31-35;1-4-14-33(15-5-1)45-48-46(34-16-6-2-7-17-34)50-47(49-45)39-21-12-22-43-44(39)41-30-36(27-28-42(41)51(43)37-18-8-3-9-19-37)35-26-25-32-24-23-31-13-10-11-20-38(31)40(32)29-35/h1-36H;1-32H;1-30H
InChIKeyGAACLISPXPDHIP-UHFFFAOYSA-N
XLogP39.80
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002128.57
LogP ≤ 539.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Related Compounds

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
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-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole
CID 118299151
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-2-yl-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-yl-9-phenylcarbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-naphthalen-2-yl-9-phenylcarbazole
CID 158116444
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
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;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-naphthalen-2-yl-9-phenylcarbazole
CID 159301460
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
CID 160854312
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenanthren-3-ylbenzo[c]carbazole
CID 131979656
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 139303805
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 130351139

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole (CID 158193193) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6cccc7c6c6cccc(-c8ccccc8)c6n7-c6ccccc6)cc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6ccc7ccccc7c6c5)ccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole?
The InChIKey is GAACLISPXPDHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4.C51H32N4.C47H30N4/c1-5-17-37(18-6-1)44-28-15-29-49-53-43(27-16-30-52(53)61(54(44)49)42-23-11-4-12-24-42)40-31-33-47-48-34-32-41(36-51(48)46-26-14-13-25-45(46)50(47)35-40)57-59-55(38-19-7-2-8-20-38)58-56(60-57)39-21-9-3-10-22-39;1-4-15-33(16-5-1)49-52-50(34-17-6-2-7-18-34)54-51(53-49)43-25-14-26-47-48(43)45-32-36(28-30-46(45)55(47)37-19-8-3-9-20-37)35-27-29-42-40-23-11-10-21-38(40)39-22-12-13-24-41(39)44(42)31-35;1-4-14-33(15-5-1)45-48-46(34-16-6-2-7-17-34)50-47(49-45)39-21-12-22-43-44(39)41-30-36(27-28-42(41)51(43)37-18-8-3-9-19-37)35-26-25-32-24-23-31-13-10-11-20-38(31)40(32)29-35/h1-36H;1-32H;1-30H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole has a molecular weight of 2128.57 g/mol, XLogP of 39.80, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole is sourced from PubChem (CID 158193193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).