2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine

C35H22Br2N4 — CID 129258765

IUPAC2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3nc(-c4ccc(Br)c5ccccc45)nc(-c4ccc(Br)c5ccccc45)n3)cn2)cc1
InChIInChI=1S/C35H22Br2N4/c1-21-10-12-22(13-11-21)32-19-14-23(20-38-32)33-39-34(28-15-17-30(36)26-8-4-2-6-24(26)28)41-35(40-33)29-16-18-31(37)27-9-5-3-7-25(27)29/h2-20H,1H3
InChIKeyGPARSLGJUZJPJW-UHFFFAOYSA-N
MW658.40 g/mol
LogP10.07
Rot. Bonds4

About 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine

2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine (PubChem CID 129258765) has the molecular formula C35H22Br2N4 and a molecular weight of 658.40 g/mol. Its IUPAC name is 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine
PubChem CID129258765
Molecular FormulaC35H22Br2N4
Molecular Weight658.40 g/mol
Exact Mass656.02
IUPAC Name2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3nc(-c4ccc(Br)c5ccccc45)nc(-c4ccc(Br)c5ccccc45)n3)cn2)cc1
InChIInChI=1S/C35H22Br2N4/c1-21-10-12-22(13-11-21)32-19-14-23(20-38-32)33-39-34(28-15-17-30(36)26-8-4-2-6-24(26)28)41-35(40-33)29-16-18-31(37)27-9-5-3-7-25(27)29/h2-20H,1H3
InChIKeyGPARSLGJUZJPJW-UHFFFAOYSA-N
XLogP10.07
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.40
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine (CID 129258765) is 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine is Cc1ccc(-c2ccc(-c3nc(-c4ccc(Br)c5ccccc45)nc(-c4ccc(Br)c5ccccc45)n3)cn2)cc1.
What is the InChIKey of 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine?
The InChIKey is GPARSLGJUZJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22Br2N4/c1-21-10-12-22(13-11-21)32-19-14-23(20-38-32)33-39-34(28-15-17-30(36)26-8-4-2-6-24(26)28)41-35(40-33)29-16-18-31(37)27-9-5-3-7-25(27)29/h2-20H,1H3.
What are the key properties of 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine?
2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine has a molecular weight of 658.40 g/mol, XLogP of 10.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-bromonaphthalen-1-yl)-6-[6-(4-methylphenyl)-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 129258765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).