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

C73H55FN6 — CID 164818925

IUPAC2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3-c3cc(-c5cc(F)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43C4CC5CC(C4)CC3C5)cccc21
InChIInChI=1S/C73H55FN6/c1-72(2)59-30-16-15-27-54(59)64-52(28-17-31-61(64)72)53-29-18-32-62-65(53)57-40-49(33-34-60(57)73(62)50-36-43-35-44(38-50)39-51(73)37-43)55-42-63(74)58(71-79-68(47-23-11-5-12-24-47)76-69(80-71)48-25-13-6-14-26-48)41-56(55)70-77-66(45-19-7-3-8-20-45)75-67(78-70)46-21-9-4-10-22-46/h3-34,40-44,50-51H,35-39H2,1-2H3
InChIKeyRJXDQZWCZWRYPK-UHFFFAOYSA-N
MW1035.28 g/mol
LogP17.56
Rot. Bonds8

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

2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164818925) has the molecular formula C73H55FN6 and a molecular weight of 1035.28 g/mol. Its IUPAC name is 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID164818925
Molecular FormulaC73H55FN6
Molecular Weight1035.28 g/mol
Exact Mass1034.45
IUPAC Name2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3-c3cc(-c5cc(F)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43C4CC5CC(C4)CC3C5)cccc21
InChIInChI=1S/C73H55FN6/c1-72(2)59-30-16-15-27-54(59)64-52(28-17-31-61(64)72)53-29-18-32-62-65(53)57-40-49(33-34-60(57)73(62)50-36-43-35-44(38-50)39-51(73)37-43)55-42-63(74)58(71-79-68(47-23-11-5-12-24-47)76-69(80-71)48-25-13-6-14-26-48)41-56(55)70-77-66(45-19-7-3-8-20-45)75-67(78-70)46-21-9-4-10-22-46/h3-34,40-44,50-51H,35-39H2,1-2H3
InChIKeyRJXDQZWCZWRYPK-UHFFFAOYSA-N
XLogP17.56
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.28
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (CID 164818925) is 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3cccc4c3-c3cc(-c5cc(F)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43C4CC5CC(C4)CC3C5)cccc21.
What is the InChIKey of 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RJXDQZWCZWRYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H55FN6/c1-72(2)59-30-16-15-27-54(59)64-52(28-17-31-61(64)72)53-29-18-32-62-65(53)57-40-49(33-34-60(57)73(62)50-36-43-35-44(38-50)39-51(73)37-43)55-42-63(74)58(71-79-68(47-23-11-5-12-24-47)76-69(80-71)48-25-13-6-14-26-48)41-56(55)70-77-66(45-19-7-3-8-20-45)75-67(78-70)46-21-9-4-10-22-46/h3-34,40-44,50-51H,35-39H2,1-2H3.
What are the key properties of 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1035.28 g/mol, XLogP of 17.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164818925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).