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

C78H65FN6 — CID 164819055

IUPAC2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine
SMILESCCc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(C(C)C)cc5)n4)c(-c4ccc5c(c4)-c4c(-c6cccc7c6-c6ccccc6C7(C)C)cccc4C54C5CC6CC(C5)CC4C6)cc3F)n2)cc1
InChIInChI=1S/C78H65FN6/c1-6-46-27-29-52(30-28-46)73-81-72(51-19-11-8-12-20-51)84-76(85-73)63-43-61(75-82-71(50-17-9-7-10-18-50)80-74(83-75)53-33-31-49(32-34-53)45(2)3)60(44-68(63)79)54-35-36-65-62(42-54)70-58(57-22-15-25-66-69(57)59-21-13-14-24-64(59)77(66,4)5)23-16-26-67(70)78(65)55-38-47-37-48(40-55)41-56(78)39-47/h7-36,42-45,47-48,55-56H,6,37-41H2,1-5H3
InChIKeyGYAWWDJBLNLRDU-UHFFFAOYSA-N
MW1105.42 g/mol
LogP19.25
Rot. Bonds10

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

2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine (PubChem CID 164819055) has the molecular formula C78H65FN6 and a molecular weight of 1105.42 g/mol. Its IUPAC name is 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine
PubChem CID164819055
Molecular FormulaC78H65FN6
Molecular Weight1105.42 g/mol
Exact Mass1104.53
IUPAC Name2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine
SMILESCCc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(C(C)C)cc5)n4)c(-c4ccc5c(c4)-c4c(-c6cccc7c6-c6ccccc6C7(C)C)cccc4C54C5CC6CC(C5)CC4C6)cc3F)n2)cc1
InChIInChI=1S/C78H65FN6/c1-6-46-27-29-52(30-28-46)73-81-72(51-19-11-8-12-20-51)84-76(85-73)63-43-61(75-82-71(50-17-9-7-10-18-50)80-74(83-75)53-33-31-49(32-34-53)45(2)3)60(44-68(63)79)54-35-36-65-62(42-54)70-58(57-22-15-25-66-69(57)59-21-13-14-24-64(59)77(66,4)5)23-16-26-67(70)78(65)55-38-47-37-48(40-55)41-56(78)39-47/h7-36,42-45,47-48,55-56H,6,37-41H2,1-5H3
InChIKeyGYAWWDJBLNLRDU-UHFFFAOYSA-N
XLogP19.25
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.42
LogP ≤ 519.25
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-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-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-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine (CID 164819055) is 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-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-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-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-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine is CCc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(C(C)C)cc5)n4)c(-c4ccc5c(c4)-c4c(-c6cccc7c6-c6ccccc6C7(C)C)cccc4C54C5CC6CC(C5)CC4C6)cc3F)n2)cc1.
What is the InChIKey of 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine?
The InChIKey is GYAWWDJBLNLRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H65FN6/c1-6-46-27-29-52(30-28-46)73-81-72(51-19-11-8-12-20-51)84-76(85-73)63-43-61(75-82-71(50-17-9-7-10-18-50)80-74(83-75)53-33-31-49(32-34-53)45(2)3)60(44-68(63)79)54-35-36-65-62(42-54)70-58(57-22-15-25-66-69(57)59-21-13-14-24-64(59)77(66,4)5)23-16-26-67(70)78(65)55-38-47-37-48(40-55)41-56(78)39-47/h7-36,42-45,47-48,55-56H,6,37-41H2,1-5H3.
What are the key properties of 2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine?
2-[2-[5'-(9,9-dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine has a molecular weight of 1105.42 g/mol, XLogP of 19.25, 10 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-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164819055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).