2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine

C41H26ClN5 — CID 156554786

IUPAC2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)n2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C41H26ClN5/c42-41-46-39(34-18-9-16-30-13-7-8-17-33(30)34)45-40(47-41)36-20-10-19-35(43-36)38-26-32(25-37(44-38)31-14-5-2-6-15-31)29-23-21-28(22-24-29)27-11-3-1-4-12-27/h1-26H
InChIKeyMBMIQXTZJPCYBD-UHFFFAOYSA-N
MW624.15 g/mol
LogP10.47
Rot. Bonds6

About 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine

2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine (PubChem CID 156554786) has the molecular formula C41H26ClN5 and a molecular weight of 624.15 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine
PubChem CID156554786
Molecular FormulaC41H26ClN5
Molecular Weight624.15 g/mol
Exact Mass623.19
IUPAC Name2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)n2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C41H26ClN5/c42-41-46-39(34-18-9-16-30-13-7-8-17-33(30)34)45-40(47-41)36-20-10-19-35(43-36)38-26-32(25-37(44-38)31-14-5-2-6-15-31)29-23-21-28(22-24-29)27-11-3-1-4-12-27/h1-26H
InChIKeyMBMIQXTZJPCYBD-UHFFFAOYSA-N
XLogP10.47
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.15
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
2-[3-[5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 158729829
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
2-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159163792
2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 171598261
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine (CID 156554786) is 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine is Clc1nc(-c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)n2)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine?
The InChIKey is MBMIQXTZJPCYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26ClN5/c42-41-46-39(34-18-9-16-30-13-7-8-17-33(30)34)45-40(47-41)36-20-10-19-35(43-36)38-26-32(25-37(44-38)31-14-5-2-6-15-31)29-23-21-28(22-24-29)27-11-3-1-4-12-27/h1-26H.
What are the key properties of 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine?
2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine has a molecular weight of 624.15 g/mol, XLogP of 10.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-1-yl-6-[6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 156554786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).