2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C43H29N3O — CID 170424177

IUPAC2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=CC2Oc3cc(-c4ccc5ccccc5c4)ccc3C2C(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)=C1
InChIInChI=1S/C43H29N3O/c1-3-11-30(12-4-1)41-44-42(31-13-5-2-6-14-31)46-43(45-41)32-21-19-29(20-22-32)36-16-9-17-38-40(36)37-25-24-35(27-39(37)47-38)34-23-18-28-10-7-8-15-33(28)26-34/h1-27,38,40H
InChIKeyPPBOODUTWGFZHM-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.19
Rot. Bonds5

About 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 170424177) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID170424177
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=CC2Oc3cc(-c4ccc5ccccc5c4)ccc3C2C(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)=C1
InChIInChI=1S/C43H29N3O/c1-3-11-30(12-4-1)41-44-42(31-13-5-2-6-14-31)46-43(45-41)32-21-19-29(20-22-32)36-16-9-17-38-40(36)37-25-24-35(27-39(37)47-38)34-23-18-28-10-7-8-15-33(28)26-34/h1-27,38,40H
InChIKeyPPBOODUTWGFZHM-UHFFFAOYSA-N
XLogP10.19
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 170021922
2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166741609
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170011885
2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170011216
2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
CID 168731978
2-naphthalen-1-yl-4-phenyl-6-[9-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170007353
2-[5-(4a,9b-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenanthren-3-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 167182202
2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 166845890
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(6-phenyl-4a,9b-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170013352
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 170424177) is 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is C1=CC2Oc3cc(-c4ccc5ccccc5c4)ccc3C2C(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)=C1.
What is the InChIKey of 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PPBOODUTWGFZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-11-30(12-4-1)41-44-42(31-13-5-2-6-14-31)46-43(45-41)32-21-19-29(20-22-32)36-16-9-17-38-40(36)37-25-24-35(27-39(37)47-38)34-23-18-28-10-7-8-15-33(28)26-34/h1-27,38,40H.
What are the key properties of 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 10.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 170424177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).