2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C158H100N16 — CID 159635225

IUPAC2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESN#Cc1cccc(-c2ccc3ccccc3c2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.N#Cc1ccccc1-c1ccc2ccccc2c1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4ccccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc3ccccc3c2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C44H28N4.3C38H24N4/c1-45-38-27-24-31(25-28-38)30-16-18-33(19-17-30)40-29-26-32-10-8-9-15-39(32)41(40)34-20-22-37(23-21-34)44-47-42(35-11-4-2-5-12-35)46-43(48-44)36-13-6-3-7-14-36;1-39-32-23-20-27(21-24-32)34-25-22-26-10-8-9-15-33(26)35(34)28-16-18-31(19-17-28)38-41-36(29-11-4-2-5-12-29)40-37(42-38)30-13-6-3-7-14-30;39-25-31-16-8-9-17-32(31)34-24-23-26-11-7-10-18-33(26)35(34)27-19-21-30(22-20-27)38-41-36(28-12-3-1-4-13-28)40-37(42-38)29-14-5-2-6-15-29;39-25-26-10-9-16-32(24-26)34-23-22-27-11-7-8-17-33(27)35(34)28-18-20-31(21-19-28)38-41-36(29-12-3-1-4-13-29)40-37(42-38)30-14-5-2-6-15-30/h2-29H;2-25H;2*1-24H
InChIKeyMPQPDWYMUGHFND-UHFFFAOYSA-N
MW2222.65 g/mol
LogP39.95
Rot. Bonds21

About 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159635225) has the molecular formula C158H100N16 and a molecular weight of 2222.65 g/mol. Its IUPAC name is 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID159635225
Molecular FormulaC158H100N16
Molecular Weight2222.65 g/mol
Exact Mass2220.83
IUPAC Name2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESN#Cc1cccc(-c2ccc3ccccc3c2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.N#Cc1ccccc1-c1ccc2ccccc2c1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4ccccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc3ccccc3c2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C44H28N4.3C38H24N4/c1-45-38-27-24-31(25-28-38)30-16-18-33(19-17-30)40-29-26-32-10-8-9-15-39(32)41(40)34-20-22-37(23-21-34)44-47-42(35-11-4-2-5-12-35)46-43(48-44)36-13-6-3-7-14-36;1-39-32-23-20-27(21-24-32)34-25-22-26-10-8-9-15-33(26)35(34)28-16-18-31(19-17-28)38-41-36(29-11-4-2-5-12-29)40-37(42-38)30-13-6-3-7-14-30;39-25-31-16-8-9-17-32(31)34-24-23-26-11-7-10-18-33(26)35(34)27-19-21-30(22-20-27)38-41-36(28-12-3-1-4-13-28)40-37(42-38)29-14-5-2-6-15-29;39-25-26-10-9-16-32(24-26)34-23-22-27-11-7-8-17-33(27)35(34)28-18-20-31(21-19-28)38-41-36(29-12-3-1-4-13-29)40-37(42-38)30-14-5-2-6-15-30/h2-29H;2-25H;2*1-24H
InChIKeyMPQPDWYMUGHFND-UHFFFAOYSA-N
XLogP39.95
TPSA210.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002222.65
LogP ≤ 539.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;3-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160767645
bis(2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile);3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;2-[4-[8-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160509145
3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-isocyanobenzonitrile;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;3-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 157323966
5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134320402
3-[2-[4-[4-[4-[8-(4-cyanophenyl)-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 138750058
5-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzene-1,3-dicarbonitrile
CID 134320433
2-[4-[1-(3-isocyanophenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140848174
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 169297169
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
2-[2-[4-(3-isocyanophenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 158503468

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159635225) is 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is N#Cc1cccc(-c2ccc3ccccc3c2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.N#Cc1ccccc1-c1ccc2ccccc2c1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4ccccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc3ccccc3c2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MPQPDWYMUGHFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4.3C38H24N4/c1-45-38-27-24-31(25-28-38)30-16-18-33(19-17-30)40-29-26-32-10-8-9-15-39(32)41(40)34-20-22-37(23-21-34)44-47-42(35-11-4-2-5-12-35)46-43(48-44)36-13-6-3-7-14-36;1-39-32-23-20-27(21-24-32)34-25-22-26-10-8-9-15-33(26)35(34)28-16-18-31(19-17-28)38-41-36(29-11-4-2-5-12-29)40-37(42-38)30-13-6-3-7-14-30;39-25-31-16-8-9-17-32(31)34-24-23-26-11-7-10-18-33(26)35(34)27-19-21-30(22-20-27)38-41-36(28-12-3-1-4-13-28)40-37(42-38)29-14-5-2-6-15-29;39-25-26-10-9-16-32(24-26)34-23-22-27-11-7-8-17-33(27)35(34)28-18-20-31(21-19-28)38-41-36(29-12-3-1-4-13-29)40-37(42-38)30-14-5-2-6-15-30/h2-29H;2-25H;2*1-24H.
What are the key properties of 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2222.65 g/mol, XLogP of 39.95, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159635225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).