2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine

C133H85N9O — CID 165088106

IUPAC2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)n3)cc21.c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc4c(ccc5c6ccccc6ccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6ccccc6ccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C52H33N3.C42H29N3.C39H23N3O/c1-4-15-35(16-5-1)49-53-50(37-26-28-42-36(32-37)25-30-43-41-21-11-10-14-34(41)24-29-44(42)43)55-51(54-49)38-27-31-46-45-22-12-13-23-47(45)52(48(46)33-38,39-17-6-2-7-18-39)40-19-8-3-9-20-40;1-42(2)37-15-9-8-14-35(37)36-23-19-30(25-38(36)42)41-44-39(27-11-4-3-5-12-27)43-40(45-41)29-18-20-32-28(24-29)17-22-33-31-13-7-6-10-26(31)16-21-34(32)33;1-2-10-25(11-3-1)37-40-38(42-39(41-37)34-15-8-14-33-32-13-6-7-16-35(32)43-36(33)34)27-19-20-29-26(23-27)18-22-30-28-12-5-4-9-24(28)17-21-31(29)30/h1-33H;3-25H,1-2H3;1-23H
InChIKeyWFUJRPVLLGEUIP-UHFFFAOYSA-N
MW1825.20 g/mol
LogP33.57
Rot. Bonds11

About 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine

2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 165088106) has the molecular formula C133H85N9O and a molecular weight of 1825.20 g/mol. Its IUPAC name is 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID165088106
Molecular FormulaC133H85N9O
Molecular Weight1825.20 g/mol
Exact Mass1823.69
IUPAC Name2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)n3)cc21.c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc4c(ccc5c6ccccc6ccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6ccccc6ccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C52H33N3.C42H29N3.C39H23N3O/c1-4-15-35(16-5-1)49-53-50(37-26-28-42-36(32-37)25-30-43-41-21-11-10-14-34(41)24-29-44(42)43)55-51(54-49)38-27-31-46-45-22-12-13-23-47(45)52(48(46)33-38,39-17-6-2-7-18-39)40-19-8-3-9-20-40;1-42(2)37-15-9-8-14-35(37)36-23-19-30(25-38(36)42)41-44-39(27-11-4-3-5-12-27)43-40(45-41)29-18-20-32-28(24-29)17-22-33-31-13-7-6-10-26(31)16-21-34(32)33;1-2-10-25(11-3-1)37-40-38(42-39(41-37)34-15-8-14-33-32-13-6-7-16-35(32)43-36(33)34)27-19-20-29-26(23-27)18-22-30-28-12-5-4-9-24(28)17-21-31(29)30/h1-33H;3-25H,1-2H3;1-23H
InChIKeyWFUJRPVLLGEUIP-UHFFFAOYSA-N
XLogP33.57
TPSA129.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001825.20
LogP ≤ 533.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278835
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
2-dibenzofuran-1-yl-4-[3-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 167675014
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
2-dibenzofuran-4-yl-4-[3-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[2-[2-(11,11-dimethylbenzo[a]fluoren-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 161278452
2-(9,9-diphenylfluoren-2-yl)-4-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 161426353
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-[4-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491019

Frequently Asked Questions

What is the IUPAC name of 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine (CID 165088106) is 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)n3)cc21.c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc4c(ccc5c6ccccc6ccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6ccccc6ccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is WFUJRPVLLGEUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3.C42H29N3.C39H23N3O/c1-4-15-35(16-5-1)49-53-50(37-26-28-42-36(32-37)25-30-43-41-21-11-10-14-34(41)24-29-44(42)43)55-51(54-49)38-27-31-46-45-22-12-13-23-47(45)52(48(46)33-38,39-17-6-2-7-18-39)40-19-8-3-9-20-40;1-42(2)37-15-9-8-14-35(37)36-23-19-30(25-38(36)42)41-44-39(27-11-4-3-5-12-27)43-40(45-41)29-18-20-32-28(24-29)17-22-33-31-13-7-6-10-26(31)16-21-34(32)33;1-2-10-25(11-3-1)37-40-38(42-39(41-37)34-15-8-14-33-32-13-6-7-16-35(32)43-36(33)34)27-19-20-29-26(23-27)18-22-30-28-12-5-4-9-24(28)17-21-31(29)30/h1-33H;3-25H,1-2H3;1-23H.
What are the key properties of 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 1825.20 g/mol, XLogP of 33.57, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 165088106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).