2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine

C71H55N3 — CID 168803943

IUPAC2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)n4)cc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C71H55N3/c1-69(2)60-27-15-12-24-53(60)56-32-30-46(41-63(56)69)58-39-48(40-59-55-26-14-17-29-62(55)71(65(58)59)51-35-43-34-44(37-51)38-52(71)36-43)68-73-66(45-18-6-3-7-19-45)72-67(74-68)47-31-33-57-54-25-13-16-28-61(54)70(64(57)42-47,49-20-8-4-9-21-49)50-22-10-5-11-23-50/h3-33,39-44,51-52H,34-38H2,1-2H3
InChIKeyFOROJDQTVDKWFG-UHFFFAOYSA-N
MW950.24 g/mol
LogP16.93
Rot. Bonds6

About 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine

2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 168803943) has the molecular formula C71H55N3 and a molecular weight of 950.24 g/mol. Its IUPAC name is 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID168803943
Molecular FormulaC71H55N3
Molecular Weight950.24 g/mol
Exact Mass949.44
IUPAC Name2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)n4)cc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C71H55N3/c1-69(2)60-27-15-12-24-53(60)56-32-30-46(41-63(56)69)58-39-48(40-59-55-26-14-17-29-62(55)71(65(58)59)51-35-43-34-44(37-51)38-52(71)36-43)68-73-66(45-18-6-3-7-19-45)72-67(74-68)47-31-33-57-54-25-13-16-28-61(54)70(64(57)42-47,49-20-8-4-9-21-49)50-22-10-5-11-23-50/h3-33,39-44,51-52H,34-38H2,1-2H3
InChIKeyFOROJDQTVDKWFG-UHFFFAOYSA-N
XLogP16.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.24
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-2'-yl-1,3,5-triazine
CID 156561346
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353637
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353704
2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166017889
2-[3-[3-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166018181
2-[3-[4-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166017826
2-[6'-(9,9-dimethylfluoren-1-yl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168803520
9-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]phenyl]carbazole;2-[3-(9,9-diphenylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 165077364
2-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166017953
2-[3,5-bis(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162075973
[7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane
CID 177088186
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine (CID 168803943) is 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)n4)cc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is FOROJDQTVDKWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H55N3/c1-69(2)60-27-15-12-24-53(60)56-32-30-46(41-63(56)69)58-39-48(40-59-55-26-14-17-29-62(55)71(65(58)59)51-35-43-34-44(37-51)38-52(71)36-43)68-73-66(45-18-6-3-7-19-45)72-67(74-68)47-31-33-57-54-25-13-16-28-61(54)70(64(57)42-47,49-20-8-4-9-21-49)50-22-10-5-11-23-50/h3-33,39-44,51-52H,34-38H2,1-2H3.
What are the key properties of 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 950.24 g/mol, XLogP of 16.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168803943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).