2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine

C30H21N3 — CID 170722326

IUPAC2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(C34CC(c5ccccc53)c3ccccc34)n2)cc1
InChIInChI=1S/C30H21N3/c1-3-11-20(12-4-1)27-31-28(21-13-5-2-6-14-21)33-29(32-27)30-19-24(22-15-7-9-17-25(22)30)23-16-8-10-18-26(23)30/h1-18,24H,19H2
InChIKeyFOHONXAYOAXWOX-UHFFFAOYSA-N
MW423.52 g/mol
LogP6.39
Rot. Bonds3

About 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine

2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine (PubChem CID 170722326) has the molecular formula C30H21N3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
PubChem CID170722326
Molecular FormulaC30H21N3
Molecular Weight423.52 g/mol
Exact Mass423.17
IUPAC Name2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(C34CC(c5ccccc53)c3ccccc34)n2)cc1
InChIInChI=1S/C30H21N3/c1-3-11-20(12-4-1)27-31-28(21-13-5-2-6-14-21)33-29(32-27)30-19-24(22-15-7-9-17-25(22)30)23-16-8-10-18-26(23)30/h1-18,24H,19H2
InChIKeyFOHONXAYOAXWOX-UHFFFAOYSA-N
XLogP6.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
CID 170722250
2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
CID 170722266
4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine
CID 170722297
2,4-diphenyl-6-(5-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
CID 170722231
2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
CID 170722181
2-(3,5-diphenylphenyl)-4-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]fluoren-9-yl]-6-phenyl-1,3,5-triazine
CID 170367767
2-(1-pentacyclo[7.6.6.02,7.010,15.016,21]henicosa-2,4,6,10,12,14,16,18,20-nonaenyl)-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 170722402
2-(8-bromo-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 174264142
2-phenyl-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 170722205
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine (CID 170722326) is 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(C34CC(c5ccccc53)c3ccccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
The InChIKey is FOHONXAYOAXWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3/c1-3-11-20(12-4-1)27-31-28(21-13-5-2-6-14-21)33-29(32-27)30-19-24(22-15-7-9-17-25(22)30)23-16-8-10-18-26(23)30/h1-18,24H,19H2.
What are the key properties of 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine has a molecular weight of 423.52 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine is sourced from PubChem (CID 170722326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).