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

C47H27N3O — CID 163945090

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6cc7c(cc6c45)-c4cccc5cccc-7c45)c4ccccc4c3)n2)cc1
InChIInChI=1S/C47H27N3O/c1-3-12-29(13-4-1)45-48-46(30-14-5-2-6-15-30)50-47(49-45)32-24-31-16-7-8-19-33(31)37(25-32)36-22-11-23-41-44(36)40-26-38-34-20-9-17-28-18-10-21-35(43(28)34)39(38)27-42(40)51-41/h1-27H
InChIKeyRUJVDVKISDWREB-UHFFFAOYSA-N
MW649.75 g/mol
LogP12.39
Rot. Bonds4

About 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

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 (PubChem CID 163945090) has the molecular formula C47H27N3O and a molecular weight of 649.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163945090
Molecular FormulaC47H27N3O
Molecular Weight649.75 g/mol
Exact Mass649.22
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6cc7c(cc6c45)-c4cccc5cccc-7c45)c4ccccc4c3)n2)cc1
InChIInChI=1S/C47H27N3O/c1-3-12-29(13-4-1)45-48-46(30-14-5-2-6-15-30)50-47(49-45)32-24-31-16-7-8-19-33(31)37(25-32)36-22-11-23-41-44(36)40-26-38-34-20-9-17-28-18-10-21-35(43(28)34)39(38)27-42(40)51-41/h1-27H
InChIKeyRUJVDVKISDWREB-UHFFFAOYSA-N
XLogP12.39
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.75
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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)-4,6-diphenyl-1,3,5-triazine
CID 155404550
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-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741639
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
5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167127620
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016837
2-[4-(3-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166741713
2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147818136
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785048
2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164952293
4-[4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166801951
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6cc7c(cc6c45)-c4cccc5cccc-7c45)c4ccccc4c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is RUJVDVKISDWREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O/c1-3-12-29(13-4-1)45-48-46(30-14-5-2-6-15-30)50-47(49-45)32-24-31-16-7-8-19-33(31)37(25-32)36-22-11-23-41-44(36)40-26-38-34-20-9-17-28-18-10-21-35(43(28)34)39(38)27-42(40)51-41/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 649.75 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163945090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).