2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine

C119H94B2BrN9O4 — CID 158013419

IUPAC2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine
SMILESBrc1ccc(-c2ccccn2)cc1.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc34)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccn7)cc6)cc(-c6ccc(-c7ccccn7)cc6)c5)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C59H39N5.C49H47B2N3O4.C11H8BrN/c1-3-13-45(14-4-1)57-62-58(46-15-5-2-6-16-46)64-59(63-57)47-31-25-42(26-32-47)51-33-34-52(54-18-8-7-17-53(51)54)50-38-48(40-21-27-43(28-22-40)55-19-9-11-35-60-55)37-49(39-50)41-23-29-44(30-24-41)56-20-10-12-36-61-56;1-46(2)47(3,4)56-50(55-46)37-29-36(30-38(31-37)51-57-48(5,6)49(7,8)58-51)40-28-27-39(41-21-15-16-22-42(40)41)32-23-25-35(26-24-32)45-53-43(33-17-11-9-12-18-33)52-44(54-45)34-19-13-10-14-20-34;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-39H;9-31H,1-8H3;1-8H
InChIKeyFFECNOCAGKZKEN-UHFFFAOYSA-N
MW1815.65 g/mol
LogP28.29
Rot. Bonds17

About 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine

2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine (PubChem CID 158013419) has the molecular formula C119H94B2BrN9O4 and a molecular weight of 1815.65 g/mol. Its IUPAC name is 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine.

Molecular Properties

Compound Name2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine
PubChem CID158013419
Molecular FormulaC119H94B2BrN9O4
Molecular Weight1815.65 g/mol
Exact Mass1813.68
IUPAC Name2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine
SMILESBrc1ccc(-c2ccccn2)cc1.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc34)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccn7)cc6)cc(-c6ccc(-c7ccccn7)cc6)c5)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C59H39N5.C49H47B2N3O4.C11H8BrN/c1-3-13-45(14-4-1)57-62-58(46-15-5-2-6-16-46)64-59(63-57)47-31-25-42(26-32-47)51-33-34-52(54-18-8-7-17-53(51)54)50-38-48(40-21-27-43(28-22-40)55-19-9-11-35-60-55)37-49(39-50)41-23-29-44(30-24-41)56-20-10-12-36-61-56;1-46(2)47(3,4)56-50(55-46)37-29-36(30-38(31-37)51-57-48(5,6)49(7,8)58-51)40-28-27-39(41-21-15-16-22-42(40)41)32-23-25-35(26-24-32)45-53-43(33-17-11-9-12-18-33)52-44(54-45)34-19-13-10-14-20-34;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-39H;9-31H,1-8H3;1-8H
InChIKeyFFECNOCAGKZKEN-UHFFFAOYSA-N
XLogP28.29
TPSA152.93 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001815.65
LogP ≤ 528.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine with MolForge

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Related Compounds

2-[4-[10-[4-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4-(2-methylphenyl)-6-pyridin-2-yl-1,3,5-triazine
CID 91499684
2-Benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130271209
2-[6-[4-[2-[3,5-Bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 134191440
2-[6-[4-[2-[3,5-Bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 134191441
3-[4-Naphthalen-2-yl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazin-2-yl]isoquinoline
CID 140796903
2-(4-Phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 140796906
2-Phenanthren-9-yl-4-pyridin-2-yl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140796923
2-Phenanthren-9-yl-4-pyridin-3-yl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine
CID 140797014
2,4-Dinaphthalen-1-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838407
2,4-Bis(5,6,7,8-tetrahydronaphthalen-2-yl)-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838529
2,4-Dinaphthalen-2-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838979
2-[6-[4-[2-[3-[2-[4-[5-[4,6-Bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 141674161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine?
The IUPAC name of 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine (CID 158013419) is 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine.
What is the SMILES notation for 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine?
The canonical SMILES for 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine is Brc1ccc(-c2ccccn2)cc1.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc34)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccn7)cc6)cc(-c6ccc(-c7ccccn7)cc6)c5)c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine?
The InChIKey is FFECNOCAGKZKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5.C49H47B2N3O4.C11H8BrN/c1-3-13-45(14-4-1)57-62-58(46-15-5-2-6-16-46)64-59(63-57)47-31-25-42(26-32-47)51-33-34-52(54-18-8-7-17-53(51)54)50-38-48(40-21-27-43(28-22-40)55-19-9-11-35-60-55)37-49(39-50)41-23-29-44(30-24-41)56-20-10-12-36-61-56;1-46(2)47(3,4)56-50(55-46)37-29-36(30-38(31-37)51-57-48(5,6)49(7,8)58-51)40-28-27-39(41-21-15-16-22-42(40)41)32-23-25-35(26-24-32)45-53-43(33-17-11-9-12-18-33)52-44(54-45)34-19-13-10-14-20-34;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-39H;9-31H,1-8H3;1-8H.
What are the key properties of 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine?
2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine has a molecular weight of 1815.65 g/mol, XLogP of 28.29, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-bromophenyl)pyridine is sourced from PubChem (CID 158013419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).