2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine

C37H21N3O — CID 155404550

IUPAC2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)-c3cccc4cccc-6c34)n2)cc1
InChIInChI=1S/C37H21N3O/c1-3-10-23(11-4-1)35-38-36(24-12-5-2-6-13-24)40-37(39-35)27-18-9-19-31-34(27)30-20-28-25-16-7-14-22-15-8-17-26(33(22)25)29(28)21-32(30)41-31/h1-21H
InChIKeyHEPUYEPLQSKAMC-UHFFFAOYSA-N
MW523.60 g/mol
LogP9.57
Rot. Bonds3

About 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine

2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 155404550) has the molecular formula C37H21N3O and a molecular weight of 523.60 g/mol. Its IUPAC name is 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID155404550
Molecular FormulaC37H21N3O
Molecular Weight523.60 g/mol
Exact Mass523.17
IUPAC Name2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)-c3cccc4cccc-6c34)n2)cc1
InChIInChI=1S/C37H21N3O/c1-3-10-23(11-4-1)35-38-36(24-12-5-2-6-13-24)40-37(39-35)27-18-9-19-31-34(27)30-20-28-25-16-7-14-22-15-8-17-26(33(22)25)29(28)21-32(30)41-31/h1-21H
InChIKeyHEPUYEPLQSKAMC-UHFFFAOYSA-N
XLogP9.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166848208
2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 163945090
9-[2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163948127
2-fluoranthen-8-yl-4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine
CID 166848284
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-naphthalen-2-yl-4-(8-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316507
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole
CID 155404612
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454

Frequently Asked Questions

What is the IUPAC name of 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine (CID 155404550) is 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)-c3cccc4cccc-6c34)n2)cc1.
What is the InChIKey of 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HEPUYEPLQSKAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3O/c1-3-10-23(11-4-1)35-38-36(24-12-5-2-6-13-24)40-37(39-35)27-18-9-19-31-34(27)30-20-28-25-16-7-14-22-15-8-17-26(33(22)25)29(28)21-32(30)41-31/h1-21H.
What are the key properties of 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine?
2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 523.60 g/mol, XLogP of 9.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155404550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).