2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C56H35N3O — CID 140939385

IUPAC2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(c6c4oc4ccccc46)-c4c(ccc6ccccc46)C5(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C56H35N3O/c1-5-18-38(19-6-1)53-57-54(39-20-7-2-8-21-39)59-55(58-53)40-31-29-37(30-32-40)45-35-47-51(50-44-27-15-16-28-48(44)60-52(45)50)49-43-26-14-13-17-36(43)33-34-46(49)56(47,41-22-9-3-10-23-41)42-24-11-4-12-25-42/h1-35H
InChIKeyQDFYBCAUCHBXSB-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.96
Rot. Bonds6

About 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 140939385) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol. Its IUPAC name is 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID140939385
Molecular FormulaC56H35N3O
Molecular Weight765.92 g/mol
Exact Mass765.28
IUPAC Name2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(c6c4oc4ccccc46)-c4c(ccc6ccccc46)C5(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C56H35N3O/c1-5-18-38(19-6-1)53-57-54(39-20-7-2-8-21-39)59-55(58-53)40-31-29-37(30-32-40)45-35-47-51(50-44-27-15-16-28-48(44)60-52(45)50)49-43-26-14-13-17-36(43)33-34-46(49)56(47,41-22-9-3-10-23-41)42-24-11-4-12-25-42/h1-35H
InChIKeyQDFYBCAUCHBXSB-UHFFFAOYSA-N
XLogP13.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)-4,6-diphenyl-1,3,5-triazine
CID 140939335
2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine
CID 118552995
2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 160834708
2-[3-(15,15-diphenyl-10-oxaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaen-12-yl)phenyl]-4,6-diphenylpyrimidine
CID 140939391
2-[3-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450602
2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651227
2-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 164721400
2,4-diphenyl-6-(4-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-11-ylphenyl)pyrimidine
CID 148773177
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine
CID 122627070
2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101219

Frequently Asked Questions

What is the IUPAC name of 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 140939385) is 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(c6c4oc4ccccc46)-c4c(ccc6ccccc46)C5(c4ccccc4)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QDFYBCAUCHBXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-5-18-38(19-6-1)53-57-54(39-20-7-2-8-21-39)59-55(58-53)40-31-29-37(30-32-40)45-35-47-51(50-44-27-15-16-28-48(44)60-52(45)50)49-43-26-14-13-17-36(43)33-34-46(49)56(47,41-22-9-3-10-23-41)42-24-11-4-12-25-42/h1-35H.
What are the key properties of 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 765.92 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 140939385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).