2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine

C155H106N12 — CID 159087399

IUPAC2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccncc7)cc6)n5)cc4)c3)cc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)nc6)n5)cc4)c3)cccc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)c5)cc4)n3)cn2)cc1
InChIInChI=1S/C57H36N4.C51H36N4.C47H34N4/c1-3-15-38(16-4-1)52-34-33-43(36-58-52)56-60-54(39-17-5-2-6-18-39)59-55(61-56)40-31-29-37(30-32-40)41-19-13-20-42(35-41)44-24-14-28-51-53(44)47-23-9-12-27-50(47)57(51)48-25-10-7-21-45(48)46-22-8-11-26-49(46)57;1-51(2)46-26-24-42(32-45(46)44-25-23-36-9-6-7-14-43(36)47(44)51)41-13-8-12-40(31-41)34-17-21-39(22-18-34)50-54-48(37-10-4-3-5-11-37)53-49(55-50)38-19-15-33(16-20-38)35-27-29-52-30-28-35;1-47(2)40-21-10-9-19-39(40)43-38(20-12-22-41(43)47)36-18-11-17-35(29-36)31-23-25-34(26-24-31)45-49-44(33-15-7-4-8-16-33)50-46(51-45)37-27-28-42(48-30-37)32-13-5-3-6-14-32/h1-36H;3-32H,1-2H3;3-30H,1-2H3
InChIKeyKBPOWUVIOGWHAE-UHFFFAOYSA-N
MW2136.64 g/mol
LogP37.92
Rot. Bonds18

About 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine

2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 159087399) has the molecular formula C155H106N12 and a molecular weight of 2136.64 g/mol. Its IUPAC name is 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
PubChem CID159087399
Molecular FormulaC155H106N12
Molecular Weight2136.64 g/mol
Exact Mass2134.87
IUPAC Name2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccncc7)cc6)n5)cc4)c3)cc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)nc6)n5)cc4)c3)cccc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)c5)cc4)n3)cn2)cc1
InChIInChI=1S/C57H36N4.C51H36N4.C47H34N4/c1-3-15-38(16-4-1)52-34-33-43(36-58-52)56-60-54(39-17-5-2-6-18-39)59-55(61-56)40-31-29-37(30-32-40)41-19-13-20-42(35-41)44-24-14-28-51-53(44)47-23-9-12-27-50(47)57(51)48-25-10-7-21-45(48)46-22-8-11-26-49(46)57;1-51(2)46-26-24-42(32-45(46)44-25-23-36-9-6-7-14-43(36)47(44)51)41-13-8-12-40(31-41)34-17-21-39(22-18-34)50-54-48(37-10-4-3-5-11-37)53-49(55-50)38-19-15-33(16-20-38)35-27-29-52-30-28-35;1-47(2)40-21-10-9-19-39(40)43-38(20-12-22-41(43)47)36-18-11-17-35(29-36)31-23-25-34(26-24-31)45-49-44(33-15-7-4-8-16-33)50-46(51-45)37-27-28-42(48-30-37)32-13-5-3-6-14-32/h1-36H;3-32H,1-2H3;3-30H,1-2H3
InChIKeyKBPOWUVIOGWHAE-UHFFFAOYSA-N
XLogP37.92
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002136.64
LogP ≤ 537.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

4-[4-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 158894060
2-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine;2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 161086297
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 160666449
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 162261187
2-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-[3-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 160899727
4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 161174872
4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 162076322
4-(11,11-dimethylbenzo[a]fluoren-8-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-4-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine;4-phenyl-2-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 158606236
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 157262568
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
4-[4-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 167344555
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 157173737

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine (CID 159087399) is 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine is CC1(C)c2ccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccncc7)cc6)n5)cc4)c3)cc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)nc6)n5)cc4)c3)cccc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)c5)cc4)n3)cn2)cc1.
What is the InChIKey of 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is KBPOWUVIOGWHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4.C51H36N4.C47H34N4/c1-3-15-38(16-4-1)52-34-33-43(36-58-52)56-60-54(39-17-5-2-6-18-39)59-55(61-56)40-31-29-37(30-32-40)41-19-13-20-42(35-41)44-24-14-28-51-53(44)47-23-9-12-27-50(47)57(51)48-25-10-7-21-45(48)46-22-8-11-26-49(46)57;1-51(2)46-26-24-42(32-45(46)44-25-23-36-9-6-7-14-43(36)47(44)51)41-13-8-12-40(31-41)34-17-21-39(22-18-34)50-54-48(37-10-4-3-5-11-37)53-49(55-50)38-19-15-33(16-20-38)35-27-29-52-30-28-35;1-47(2)40-21-10-9-19-39(40)43-38(20-12-22-41(43)47)36-18-11-17-35(29-36)31-23-25-34(26-24-31)45-49-44(33-15-7-4-8-16-33)50-46(51-45)37-27-28-42(48-30-37)32-13-5-3-6-14-32/h1-36H;3-32H,1-2H3;3-30H,1-2H3.
What are the key properties of 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?
2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 2136.64 g/mol, XLogP of 37.92, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 159087399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).