2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C43H29N3O — CID 170266454

IUPAC2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3N=C(c4ccc5ccccc5c4)NC(c4ccc(-c5ccccc5)c5oc6ccccc6c45)=N3)cc2)cc1
InChIInChI=1S/C43H29N3O/c1-3-11-28(12-4-1)30-19-22-32(23-20-30)41-44-42(34-24-21-29-13-7-8-16-33(29)27-34)46-43(45-41)37-26-25-35(31-14-5-2-6-15-31)40-39(37)36-17-9-10-18-38(36)47-40/h1-27,41H,(H,44,45,46)
InChIKeyRYTXKBFSTVVNSY-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.57
Rot. Bonds5

About 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170266454) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID170266454
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3N=C(c4ccc5ccccc5c4)NC(c4ccc(-c5ccccc5)c5oc6ccccc6c45)=N3)cc2)cc1
InChIInChI=1S/C43H29N3O/c1-3-11-28(12-4-1)30-19-22-32(23-20-30)41-44-42(34-24-21-29-13-7-8-16-33(29)27-34)46-43(45-41)37-26-25-35(31-14-5-2-6-15-31)40-39(37)36-17-9-10-18-38(36)47-40/h1-27,41H,(H,44,45,46)
InChIKeyRYTXKBFSTVVNSY-UHFFFAOYSA-N
XLogP10.57
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenanthren-2-ylphenyl)-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 176616944
4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246119
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 170266454) is 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3N=C(c4ccc5ccccc5c4)NC(c4ccc(-c5ccccc5)c5oc6ccccc6c45)=N3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is RYTXKBFSTVVNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-11-28(12-4-1)30-19-22-32(23-20-30)41-44-42(34-24-21-29-13-7-8-16-33(29)27-34)46-43(45-41)37-26-25-35(31-14-5-2-6-15-31)40-39(37)36-17-9-10-18-38(36)47-40/h1-27,41H,(H,44,45,46).
What are the key properties of 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 10.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170266454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).