2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine

C52H38FN3 — CID 163556452

IUPAC2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine
SMILESFc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6c5C5(c7cc8ccccc8cc7-6)C6CC7CC(C6)C5C7)c4)cc3)n2)c1
InChIInChI=1S/C52H38FN3/c53-42-16-7-15-39(28-42)51-55-49(33-9-2-1-3-10-33)54-50(56-51)34-21-19-32(20-22-34)35-13-6-14-38(26-35)43-17-8-18-44-45-29-36-11-4-5-12-37(36)30-47(45)52(48(43)44)41-24-31-23-40(27-41)46(52)25-31/h1-22,26,28-31,40-41,46H,23-25,27H2
InChIKeyFNMATQXBASVVSH-UHFFFAOYSA-N
MW723.89 g/mol
LogP12.83
Rot. Bonds5

About 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine

2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 163556452) has the molecular formula C52H38FN3 and a molecular weight of 723.89 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID163556452
Molecular FormulaC52H38FN3
Molecular Weight723.89 g/mol
Exact Mass723.30
IUPAC Name2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine
SMILESFc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6c5C5(c7cc8ccccc8cc7-6)C6CC7CC(C6)C5C7)c4)cc3)n2)c1
InChIInChI=1S/C52H38FN3/c53-42-16-7-15-39(28-42)51-55-49(33-9-2-1-3-10-33)54-50(56-51)34-21-19-32(20-22-34)35-13-6-14-38(26-35)43-17-8-18-44-45-29-36-11-4-5-12-37(36)30-47(45)52(48(43)44)41-24-31-23-40(27-41)46(52)25-31/h1-22,26,28-31,40-41,46H,23-25,27H2
InChIKeyFNMATQXBASVVSH-UHFFFAOYSA-N
XLogP12.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.89
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-(3'-(9,9-dimethyl-9H-fluoren-2-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 121450606
2-(9,9'-Spirobi[fluoren]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 58233367
2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
2,4,6-Tris[4-(naphthalen-1-yl)phenyl]-1,3,5-triazine
CID 69407532
2,4-Bis(3-anthracen-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 101520682
2,4-Bis(3-anthracen-9-ylphenyl)-6-(4-anthracen-9-ylphenyl)-1,3,5-triazine
CID 101520684
2,4-Diphenyl-6-[3-(2-triphenylenyl)phenyl]-1,3,5-triazine
CID 118014055
2,4-Diphenyl-6-[4'-(2-triphenylenyl)[1,1'-biphenyl]-3-yl]-1,3,5-triazine
CID 118487435
2-Chloro-4-(9,9-diethyl-9h-fluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 125480095
2-[4-[1,1-Bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58233419
2,4-Bis(2,3,4,5,6-pentafluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 58273796
2,4-Bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine
CID 58273797

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine (CID 163556452) is 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine is Fc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6c5C5(c7cc8ccccc8cc7-6)C6CC7CC(C6)C5C7)c4)cc3)n2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is FNMATQXBASVVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38FN3/c53-42-16-7-15-39(28-42)51-55-49(33-9-2-1-3-10-33)54-50(56-51)34-21-19-32(20-22-34)35-13-6-14-38(26-35)43-17-8-18-44-45-29-36-11-4-5-12-37(36)30-47(45)52(48(43)44)41-24-31-23-40(27-41)46(52)25-31/h1-22,26,28-31,40-41,46H,23-25,27H2.
What are the key properties of 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine?
2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 723.89 g/mol, XLogP of 12.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[benzo[h]fluorene-11,2'-tricyclo[3.3.1.03,7]nonane]-1-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 163556452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).