2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine

C29H18ClN3 — CID 169040020

IUPAC2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cc3ccc(-c4ccccc4)cc3c3ccccc23)n1
InChIInChI=1S/C29H18ClN3/c30-29-32-27(20-11-5-2-6-12-20)31-28(33-29)26-18-22-16-15-21(19-9-3-1-4-10-19)17-25(22)23-13-7-8-14-24(23)26/h1-18H
InChIKeyXQABLZYBECZVNW-UHFFFAOYSA-N
MW443.94 g/mol
LogP7.83
Rot. Bonds3

About 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine

2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine (PubChem CID 169040020) has the molecular formula C29H18ClN3 and a molecular weight of 443.94 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine
PubChem CID169040020
Molecular FormulaC29H18ClN3
Molecular Weight443.94 g/mol
Exact Mass443.12
IUPAC Name2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cc3ccc(-c4ccccc4)cc3c3ccccc23)n1
InChIInChI=1S/C29H18ClN3/c30-29-32-27(20-11-5-2-6-12-20)31-28(33-29)26-18-22-16-15-21(19-9-3-1-4-10-19)17-25(22)23-13-7-8-14-24(23)26/h1-18H
InChIKeyXQABLZYBECZVNW-UHFFFAOYSA-N
XLogP7.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.94
LogP ≤ 57.83
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-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565
2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164950287
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773
2-chloro-4-phenyl-6-pyren-4-yl-1,3,5-triazine
CID 118371085
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302466
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 129099661
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
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine (CID 169040020) is 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2cc3ccc(-c4ccccc4)cc3c3ccccc23)n1.
What is the InChIKey of 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine?
The InChIKey is XQABLZYBECZVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClN3/c30-29-32-27(20-11-5-2-6-12-20)31-28(33-29)26-18-22-16-15-21(19-9-3-1-4-10-19)17-25(22)23-13-7-8-14-24(23)26/h1-18H.
What are the key properties of 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine?
2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine has a molecular weight of 443.94 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine is sourced from PubChem (CID 169040020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).