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

C73H55FN6 — CID 164818931

IUPAC2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-c3ccc4c(c3)-c3ccc(-c5cc(F)ccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3C43C4CC5CC(C4)CC3C5)c21
InChIInChI=1S/C73H55FN6/c1-72(2)61-26-16-15-25-57(61)64-58(71-79-68(47-21-11-5-12-22-47)76-69(80-71)48-23-13-6-14-24-48)33-32-54(65(64)72)49-28-34-62-60(40-49)55-30-27-50(41-63(55)73(62)51-36-43-35-44(38-51)39-52(73)37-43)59-42-53(74)29-31-56(59)70-77-66(45-17-7-3-8-18-45)75-67(78-70)46-19-9-4-10-20-46/h3-34,40-44,51-52H,35-39H2,1-2H3
InChIKeyQLADOKZXLSWSJK-UHFFFAOYSA-N
MW1035.28 g/mol
LogP17.56
Rot. Bonds8

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

2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164818931) has the molecular formula C73H55FN6 and a molecular weight of 1035.28 g/mol. Its IUPAC name is 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID164818931
Molecular FormulaC73H55FN6
Molecular Weight1035.28 g/mol
Exact Mass1034.45
IUPAC Name2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-c3ccc4c(c3)-c3ccc(-c5cc(F)ccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3C43C4CC5CC(C4)CC3C5)c21
InChIInChI=1S/C73H55FN6/c1-72(2)61-26-16-15-25-57(61)64-58(71-79-68(47-21-11-5-12-22-47)76-69(80-71)48-23-13-6-14-24-48)33-32-54(65(64)72)49-28-34-62-60(40-49)55-30-27-50(41-63(55)73(62)51-36-43-35-44(38-51)39-52(73)37-43)59-42-53(74)29-31-56(59)70-77-66(45-17-7-3-8-18-45)75-67(78-70)46-19-9-4-10-20-46/h3-34,40-44,51-52H,35-39H2,1-2H3
InChIKeyQLADOKZXLSWSJK-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-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-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-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (CID 164818931) is 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-c3ccc4c(c3)-c3ccc(-c5cc(F)ccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3C43C4CC5CC(C4)CC3C5)c21.
What is the InChIKey of 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QLADOKZXLSWSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H55FN6/c1-72(2)61-26-16-15-25-57(61)64-58(71-79-68(47-21-11-5-12-22-47)76-69(80-71)48-23-13-6-14-24-48)33-32-54(65(64)72)49-28-34-62-60(40-49)55-30-27-50(41-63(55)73(62)51-36-43-35-44(38-51)39-52(73)37-43)59-42-53(74)29-31-56(59)70-77-66(45-17-7-3-8-18-45)75-67(78-70)46-19-9-4-10-20-46/h3-34,40-44,51-52H,35-39H2,1-2H3.
What are the key properties of 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-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-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164818931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).