2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine

C45H27N3 — CID 146367563

IUPAC2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c4c(cc5ccc6ccccc6c35)-c3ccc(-c5ccccc5)c5cccc-4c35)n2)cc1
InChIInChI=1S/C45H27N3/c1-4-13-28(14-5-1)33-25-26-36-38-27-32-24-23-29-15-10-11-20-34(29)39(32)42(41(38)37-22-12-21-35(33)40(36)37)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-27H
InChIKeyYMORIYMUSSIIDT-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.65
Rot. Bonds4

About 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine

2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine (PubChem CID 146367563) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine
PubChem CID146367563
Molecular FormulaC45H27N3
Molecular Weight609.73 g/mol
Exact Mass609.22
IUPAC Name2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c4c(cc5ccc6ccccc6c35)-c3ccc(-c5ccccc5)c5cccc-4c35)n2)cc1
InChIInChI=1S/C45H27N3/c1-4-13-28(14-5-1)33-25-26-36-38-27-32-24-23-29-15-10-11-20-34(29)39(32)42(41(38)37-22-12-21-35(33)40(36)37)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-27H
InChIKeyYMORIYMUSSIIDT-UHFFFAOYSA-N
XLogP11.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine with MolForge

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Related Compounds

2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756351
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756345
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
CID 159461804
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
2-[4-[4-(2-fluoranthen-3-ylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170003614
2-(4-benzo[c]phenanthren-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 159651717
2-[3-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 168756537
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168756476

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine (CID 146367563) is 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3c4c(cc5ccc6ccccc6c35)-c3ccc(-c5ccccc5)c5cccc-4c35)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine?
The InChIKey is YMORIYMUSSIIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c1-4-13-28(14-5-1)33-25-26-36-38-27-32-24-23-29-15-10-11-20-34(29)39(32)42(41(38)37-22-12-21-35(33)40(36)37)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-27H.
What are the key properties of 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine?
2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine has a molecular weight of 609.73 g/mol, XLogP of 11.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(19-phenyl-3-hexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazine is sourced from PubChem (CID 146367563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).