2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine

C51H29N3O — CID 166848241

IUPAC2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4c5c(cc6oc7ccccc7c46)-c4cccc6cccc-5c46)n3)ccc2c1
InChIInChI=1S/C51H29N3O/c1-2-12-35-28-36(27-22-30(35)10-1)50-52-49(34-25-23-32(24-26-34)38-18-7-13-31-11-3-4-16-37(31)38)53-51(54-50)48-46-41-20-9-15-33-14-8-19-39(45(33)41)42(46)29-44-47(48)40-17-5-6-21-43(40)55-44/h1-29H
InChIKeyMPTHGHJUZUZKET-UHFFFAOYSA-N
MW699.81 g/mol
LogP13.55
Rot. Bonds4

About 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine (PubChem CID 166848241) has the molecular formula C51H29N3O and a molecular weight of 699.81 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine
PubChem CID166848241
Molecular FormulaC51H29N3O
Molecular Weight699.81 g/mol
Exact Mass699.23
IUPAC Name2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4c5c(cc6oc7ccccc7c46)-c4cccc6cccc-5c46)n3)ccc2c1
InChIInChI=1S/C51H29N3O/c1-2-12-35-28-36(27-22-30(35)10-1)50-52-49(34-25-23-32(24-26-34)38-18-7-13-31-11-3-4-16-37(31)38)53-51(54-50)48-46-41-20-9-15-33-14-8-19-39(45(33)41)42(46)29-44-47(48)40-17-5-6-21-43(40)55-44/h1-29H
InChIKeyMPTHGHJUZUZKET-UHFFFAOYSA-N
XLogP13.55
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.81
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-[5-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 163928791
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171054302
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163519891
2-dibenzofuran-1-yl-4-[2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 163862229
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737131
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743109
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171731278

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine (CID 166848241) is 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4c5c(cc6oc7ccccc7c46)-c4cccc6cccc-5c46)n3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine?
The InChIKey is MPTHGHJUZUZKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O/c1-2-12-35-28-36(27-22-30(35)10-1)50-52-49(34-25-23-32(24-26-34)38-18-7-13-31-11-3-4-16-37(31)38)53-51(54-50)48-46-41-20-9-15-33-14-8-19-39(45(33)41)42(46)29-44-47(48)40-17-5-6-21-43(40)55-44/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine has a molecular weight of 699.81 g/mol, XLogP of 13.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine is sourced from PubChem (CID 166848241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).