2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

C23H14ClN3 — CID 123546565

IUPAC2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cc3ccccc3c3ccccc23)n1
InChIInChI=1S/C23H14ClN3/c24-23-26-21(15-8-2-1-3-9-15)25-22(27-23)20-14-16-10-4-5-11-17(16)18-12-6-7-13-19(18)20/h1-14H
InChIKeyODRJUNRVHJGMAR-UHFFFAOYSA-N
MW367.84 g/mol
LogP6.17
Rot. Bonds2

About 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (PubChem CID 123546565) has the molecular formula C23H14ClN3 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
PubChem CID123546565
Molecular FormulaC23H14ClN3
Molecular Weight367.84 g/mol
Exact Mass367.09
IUPAC Name2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cc3ccccc3c3ccccc23)n1
InChIInChI=1S/C23H14ClN3/c24-23-26-21(15-8-2-1-3-9-15)25-22(27-23)20-14-16-10-4-5-11-17(16)18-12-6-7-13-19(18)20/h1-14H
InChIKeyODRJUNRVHJGMAR-UHFFFAOYSA-N
XLogP6.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 56.17
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-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine
CID 169040020
2-chloro-4-phenyl-6-pyren-4-yl-1,3,5-triazine
CID 118371085
2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166009866
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164950287
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2-(4-bromonaphthalen-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 165029034
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2-(3-phenanthren-9-yl-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175324946
4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
CID 118641062
2-chloro-4-(4-naphthalen-1-yl-2-phenanthren-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171439397

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (CID 123546565) is 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2cc3ccccc3c3ccccc23)n1.
What is the InChIKey of 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The InChIKey is ODRJUNRVHJGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3/c24-23-26-21(15-8-2-1-3-9-15)25-22(27-23)20-14-16-10-4-5-11-17(16)18-12-6-7-13-19(18)20/h1-14H.
What are the key properties of 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine has a molecular weight of 367.84 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 123546565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).