2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine

C37H22ClN3 — CID 155716501

IUPAC2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESClc1cc(-c2ccccc2)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2c1-c1ncncn1
InChIInChI=1S/C37H22ClN3/c38-35-20-32(23-8-2-1-3-9-23)34-19-25(15-17-31(34)36(35)37-40-21-39-22-41-37)24-14-16-30-28-12-5-4-10-26(28)27-11-6-7-13-29(27)33(30)18-24/h1-22H
InChIKeyZSBNHUNPYZUIDQ-UHFFFAOYSA-N
MW544.06 g/mol
LogP10.14
Rot. Bonds3

About 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine

2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 155716501) has the molecular formula C37H22ClN3 and a molecular weight of 544.06 g/mol. Its IUPAC name is 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID155716501
Molecular FormulaC37H22ClN3
Molecular Weight544.06 g/mol
Exact Mass543.15
IUPAC Name2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESClc1cc(-c2ccccc2)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2c1-c1ncncn1
InChIInChI=1S/C37H22ClN3/c38-35-20-32(23-8-2-1-3-9-23)34-19-25(15-17-31(34)36(35)37-40-21-39-22-41-37)24-14-16-30-28-12-5-4-10-26(28)27-11-6-7-13-29(27)33(30)18-24/h1-22H
InChIKeyZSBNHUNPYZUIDQ-UHFFFAOYSA-N
XLogP10.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.06
LogP ≤ 510.14
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

2-phenyl-4-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 118583036
2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
2-chloro-6,12-diphenylchrysene
CID 58501171
2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 137389366
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 163978951
9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837329
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine (CID 155716501) is 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine is Clc1cc(-c2ccccc2)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2c1-c1ncncn1.
What is the InChIKey of 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is ZSBNHUNPYZUIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClN3/c38-35-20-32(23-8-2-1-3-9-23)34-19-25(15-17-31(34)36(35)37-40-21-39-22-41-37)24-14-16-30-28-12-5-4-10-26(28)27-11-6-7-13-29(27)33(30)18-24/h1-22H.
What are the key properties of 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 544.06 g/mol, XLogP of 10.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155716501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).