2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine

C37H22BrN3O — CID 156551761

IUPAC2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESBrc1c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)n2)ccc2ccccc12
InChIInChI=1S/C37H22BrN3O/c38-34-28-12-5-4-9-23(28)21-22-30(34)37-40-35(25-10-2-1-3-11-25)39-36(41-37)26-19-17-24(18-20-26)27-14-8-16-32-33(27)29-13-6-7-15-31(29)42-32/h1-22H
InChIKeyYTCMFNNAVBUCBK-UHFFFAOYSA-N
MW604.51 g/mol
LogP10.35
Rot. Bonds4

About 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine

2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 156551761) has the molecular formula C37H22BrN3O and a molecular weight of 604.51 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID156551761
Molecular FormulaC37H22BrN3O
Molecular Weight604.51 g/mol
Exact Mass603.09
IUPAC Name2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESBrc1c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)n2)ccc2ccccc12
InChIInChI=1S/C37H22BrN3O/c38-34-28-12-5-4-9-23(28)21-22-30(34)37-40-35(25-10-2-1-3-11-25)39-36(41-37)26-19-17-24(18-20-26)27-14-8-16-32-33(27)29-13-6-7-15-31(29)42-32/h1-22H
InChIKeyYTCMFNNAVBUCBK-UHFFFAOYSA-N
XLogP10.35
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.51
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 176766284
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171054302
2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine
CID 160755193
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-[4-(8-phenanthren-3-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946132

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine (CID 156551761) is 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine is Brc1c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)n2)ccc2ccccc12.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is YTCMFNNAVBUCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22BrN3O/c38-34-28-12-5-4-9-23(28)21-22-30(34)37-40-35(25-10-2-1-3-11-25)39-36(41-37)26-19-17-24(18-20-26)27-14-8-16-32-33(27)29-13-6-7-15-31(29)42-32/h1-22H.
What are the key properties of 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 604.51 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)-4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 156551761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).