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

C49H27N3O2 — CID 163862229

IUPAC2-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
SMILESc1ccc(-c2nc(-c3ccccc3-c3c4c(cc5oc6ccccc6c35)-c3cccc5cccc-4c35)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H27N3O2/c1-2-13-29(14-3-1)47-50-48(52-49(51-47)36-23-12-26-40-43(36)33-19-6-8-24-38(33)53-40)32-18-5-4-17-30(32)46-44-35-22-11-16-28-15-10-21-31(42(28)35)37(44)27-41-45(46)34-20-7-9-25-39(34)54-41/h1-27H
InChIKeyPDOAGXGUZUQQPS-UHFFFAOYSA-N
MW689.77 g/mol
LogP13.14
Rot. Bonds4

About 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

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 (PubChem CID 163862229) has the molecular formula C49H27N3O2 and a molecular weight of 689.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID163862229
Molecular FormulaC49H27N3O2
Molecular Weight689.77 g/mol
Exact Mass689.21
IUPAC Name2-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
SMILESc1ccc(-c2nc(-c3ccccc3-c3c4c(cc5oc6ccccc6c35)-c3cccc5cccc-4c35)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H27N3O2/c1-2-13-29(14-3-1)47-50-48(52-49(51-47)36-23-12-26-40-43(36)33-19-6-8-24-38(33)53-40)32-18-5-4-17-30(32)46-44-35-22-11-16-28-15-10-21-31(42(28)35)37(44)27-41-45(46)34-20-7-9-25-39(34)54-41/h1-27H
InChIKeyPDOAGXGUZUQQPS-UHFFFAOYSA-N
XLogP13.14
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.77
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017180
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
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-[2-[2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 167411335
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
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
30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene
CID 164840627
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
CID 155049995
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3-c3c4c(cc5oc6ccccc6c35)-c3cccc5cccc-4c35)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is PDOAGXGUZUQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N3O2/c1-2-13-29(14-3-1)47-50-48(52-49(51-47)36-23-12-26-40-43(36)33-19-6-8-24-38(33)53-40)32-18-5-4-17-30(32)46-44-35-22-11-16-28-15-10-21-31(42(28)35)37(44)27-41-45(46)34-20-7-9-25-39(34)54-41/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 689.77 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163862229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).