2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone

C145H97N3O2 — CID 162245318

IUPAC2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4cccc5ccccc45)n3)cc21.O=C(c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.O=C(c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C51H30O.C51H34O.C43H33N3/c52-49(37-21-13-29-45-47(37)35-19-5-11-27-43(35)50(45)39-23-7-1-15-31(39)32-16-2-8-24-40(32)50)38-22-14-30-46-48(38)36-20-6-12-28-44(36)51(46)41-25-9-3-17-33(41)34-18-4-10-26-42(34)51;52-49(41-29-17-33-45-47(41)39-27-13-15-31-43(39)50(45,35-19-5-1-6-20-35)36-21-7-2-8-22-36)42-30-18-34-46-48(42)40-28-14-16-32-44(40)51(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-42(2)35-18-9-7-15-30(35)32-22-20-27(24-37(32)42)39-44-40(46-41(45-39)34-17-11-13-26-12-5-6-14-29(26)34)28-21-23-33-31-16-8-10-19-36(31)43(3,4)38(33)25-28/h1-30H;1-34H;5-25H,1-4H3
InChIKeyZXGJJOIFCRDVNH-UHFFFAOYSA-N
MW1913.39 g/mol
LogP33.89
Rot. Bonds11

About 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone

2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone (PubChem CID 162245318) has the molecular formula C145H97N3O2 and a molecular weight of 1913.39 g/mol. Its IUPAC name is 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone.

Molecular Properties

Compound Name2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone
PubChem CID162245318
Molecular FormulaC145H97N3O2
Molecular Weight1913.39 g/mol
Exact Mass1911.76
IUPAC Name2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4cccc5ccccc45)n3)cc21.O=C(c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.O=C(c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C51H30O.C51H34O.C43H33N3/c52-49(37-21-13-29-45-47(37)35-19-5-11-27-43(35)50(45)39-23-7-1-15-31(39)32-16-2-8-24-40(32)50)38-22-14-30-46-48(38)36-20-6-12-28-44(36)51(46)41-25-9-3-17-33(41)34-18-4-10-26-42(34)51;52-49(41-29-17-33-45-47(41)39-27-13-15-31-43(39)50(45,35-19-5-1-6-20-35)36-21-7-2-8-22-36)42-30-18-34-46-48(42)40-28-14-16-32-44(40)51(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-42(2)35-18-9-7-15-30(35)32-22-20-27(24-37(32)42)39-44-40(46-41(45-39)34-17-11-13-26-12-5-6-14-29(26)34)28-21-23-33-31-16-8-10-19-36(31)43(3,4)38(33)25-28/h1-30H;1-34H;5-25H,1-4H3
InChIKeyZXGJJOIFCRDVNH-UHFFFAOYSA-N
XLogP33.89
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001913.39
LogP ≤ 533.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone with MolForge

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Related Compounds

2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(3-ethylphenyl)naphthalen-1-yl]-4,6-bis[4-(3-ethylphenyl)phenyl]pyrimidine
CID 165084022
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine
CID 157081316
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1,3,5-triazine
CID 134529412
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
2-dibenzothiophen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 164955219
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
2-[5-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[8-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 160631923
2-(9,9-dimethylfluoren-2-yl)-4-(9,10-dimethylphenanthren-2-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine
CID 118088219
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone?
The IUPAC name of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone (CID 162245318) is 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone.
What is the SMILES notation for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone?
The canonical SMILES for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4cccc5ccccc45)n3)cc21.O=C(c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.O=C(c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone?
The InChIKey is ZXGJJOIFCRDVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30O.C51H34O.C43H33N3/c52-49(37-21-13-29-45-47(37)35-19-5-11-27-43(35)50(45)39-23-7-1-15-31(39)32-16-2-8-24-40(32)50)38-22-14-30-46-48(38)36-20-6-12-28-44(36)51(46)41-25-9-3-17-33(41)34-18-4-10-26-42(34)51;52-49(41-29-17-33-45-47(41)39-27-13-15-31-43(39)50(45,35-19-5-1-6-20-35)36-21-7-2-8-22-36)42-30-18-34-46-48(42)40-28-14-16-32-44(40)51(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-42(2)35-18-9-7-15-30(35)32-22-20-27(24-37(32)42)39-44-40(46-41(45-39)34-17-11-13-26-12-5-6-14-29(26)34)28-21-23-33-31-16-8-10-19-36(31)43(3,4)38(33)25-28/h1-30H;1-34H;5-25H,1-4H3.
What are the key properties of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone?
2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone has a molecular weight of 1913.39 g/mol, XLogP of 33.89, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone is sourced from PubChem (CID 162245318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).