2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine

C231H161N13 — CID 165099121

IUPAC2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)cccc21.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)ccc21.CC1(C)c2ccccc2-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)c21.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N2.3C48H35N3.C34H22N2/c1-3-15-35(16-4-1)50-34-51(55-52(54-50)36-17-5-2-6-18-36)41-22-14-21-39(32-41)37-19-13-20-38(31-37)40-29-30-45-44-25-9-12-28-48(44)53(49(45)33-40)46-26-10-7-23-42(46)43-24-8-11-27-47(43)53;1-48(2)43-25-10-9-22-41(43)42-24-13-23-40(44(42)48)38-20-11-18-36(30-38)37-19-12-21-39(31-37)47-50-45(34-16-7-4-8-17-34)49-46(51-47)35-28-26-33(27-29-35)32-14-5-3-6-15-32;1-48(2)42-24-10-9-22-41(42)44-40(23-13-25-43(44)48)38-20-11-18-36(30-38)37-19-12-21-39(31-37)47-50-45(34-16-7-4-8-17-34)49-46(51-47)35-28-26-33(27-29-35)32-14-5-3-6-15-32;1-48(2)43-22-10-9-21-41(43)42-31-39(27-28-44(42)48)37-18-11-17-36(29-37)38-19-12-20-40(30-38)47-50-45(34-15-7-4-8-16-34)49-46(51-47)35-25-23-33(24-26-35)32-13-5-3-6-14-32;1-3-11-23(12-4-1)32-22-33(36-34(35-32)24-13-5-2-6-14-24)25-19-20-30-28-17-8-7-15-26(28)27-16-9-10-18-29(27)31(30)21-25/h1-34H;3*3-31H,1-2H3;1-22H
InChIKeyYAGBWFCVGKFVMG-UHFFFAOYSA-N
MW3118.92 g/mol
LogP58.63
Rot. Bonds26

About 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine

2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine (PubChem CID 165099121) has the molecular formula C231H161N13 and a molecular weight of 3118.92 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine.

Molecular Properties

Compound Name2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine
PubChem CID165099121
Molecular FormulaC231H161N13
Molecular Weight3118.92 g/mol
Exact Mass3116.30
IUPAC Name2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)cccc21.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)ccc21.CC1(C)c2ccccc2-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)c21.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N2.3C48H35N3.C34H22N2/c1-3-15-35(16-4-1)50-34-51(55-52(54-50)36-17-5-2-6-18-36)41-22-14-21-39(32-41)37-19-13-20-38(31-37)40-29-30-45-44-25-9-12-28-48(44)53(49(45)33-40)46-26-10-7-23-42(46)43-24-8-11-27-47(43)53;1-48(2)43-25-10-9-22-41(43)42-24-13-23-40(44(42)48)38-20-11-18-36(30-38)37-19-12-21-39(31-37)47-50-45(34-16-7-4-8-17-34)49-46(51-47)35-28-26-33(27-29-35)32-14-5-3-6-15-32;1-48(2)42-24-10-9-22-41(42)44-40(23-13-25-43(44)48)38-20-11-18-36(30-38)37-19-12-21-39(31-37)47-50-45(34-16-7-4-8-17-34)49-46(51-47)35-28-26-33(27-29-35)32-14-5-3-6-15-32;1-48(2)43-22-10-9-21-41(43)42-31-39(27-28-44(42)48)37-18-11-17-36(29-37)38-19-12-20-40(30-38)47-50-45(34-15-7-4-8-16-34)49-46(51-47)35-25-23-33(24-26-35)32-13-5-3-6-14-32;1-3-11-23(12-4-1)32-22-33(36-34(35-32)24-13-5-2-6-14-24)25-19-20-30-28-17-8-7-15-26(28)27-16-9-10-18-29(27)31(30)21-25/h1-34H;3*3-31H,1-2H3;1-22H
InChIKeyYAGBWFCVGKFVMG-UHFFFAOYSA-N
XLogP58.63
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003118.92
LogP ≤ 558.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine?
The IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine (CID 165099121) is 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine.
What is the SMILES notation for 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine?
The canonical SMILES for 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)cccc21.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)ccc21.CC1(C)c2ccccc2-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)c21.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine?
The InChIKey is YAGBWFCVGKFVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2.3C48H35N3.C34H22N2/c1-3-15-35(16-4-1)50-34-51(55-52(54-50)36-17-5-2-6-18-36)41-22-14-21-39(32-41)37-19-13-20-38(31-37)40-29-30-45-44-25-9-12-28-48(44)53(49(45)33-40)46-26-10-7-23-42(46)43-24-8-11-27-47(43)53;1-48(2)43-25-10-9-22-41(43)42-24-13-23-40(44(42)48)38-20-11-18-36(30-38)37-19-12-21-39(31-37)47-50-45(34-16-7-4-8-17-34)49-46(51-47)35-28-26-33(27-29-35)32-14-5-3-6-15-32;1-48(2)42-24-10-9-22-41(42)44-40(23-13-25-43(44)48)38-20-11-18-36(30-38)37-19-12-21-39(31-37)47-50-45(34-16-7-4-8-17-34)49-46(51-47)35-28-26-33(27-29-35)32-14-5-3-6-15-32;1-48(2)43-22-10-9-21-41(43)42-31-39(27-28-44(42)48)37-18-11-17-36(29-37)38-19-12-20-40(30-38)47-50-45(34-15-7-4-8-16-34)49-46(51-47)35-25-23-33(24-26-35)32-13-5-3-6-14-32;1-3-11-23(12-4-1)32-22-33(36-34(35-32)24-13-5-2-6-14-24)25-19-20-30-28-17-8-7-15-26(28)27-16-9-10-18-29(27)31(30)21-25/h1-34H;3*3-31H,1-2H3;1-22H.
What are the key properties of 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine?
2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine has a molecular weight of 3118.92 g/mol, XLogP of 58.63, 26 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine is sourced from PubChem (CID 165099121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).