1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine

C64H44N4 — CID 123911645

IUPAC1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine
SMILESC1=CCC2C(=C1)c1cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)c1C21c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C64H44N4/c1-5-20-43(21-6-1)45-38-40-49(41-39-45)68(50-29-17-28-48(42-50)44-22-7-2-8-23-44)58-37-19-33-54-52-31-14-16-36-57(52)64(60(54)58)56-35-15-13-30-51(56)53-32-18-34-55(59(53)64)63-66-61(46-24-9-3-10-25-46)65-62(67-63)47-26-11-4-12-27-47/h1-35,37-42,57H,36H2
InChIKeyWICPBZYGBLHFOL-UHFFFAOYSA-N
MW869.08 g/mol
LogP15.96
Rot. Bonds8

About 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine

1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine (PubChem CID 123911645) has the molecular formula C64H44N4 and a molecular weight of 869.08 g/mol. Its IUPAC name is 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine.

Molecular Properties

Compound Name1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine
PubChem CID123911645
Molecular FormulaC64H44N4
Molecular Weight869.08 g/mol
Exact Mass868.36
IUPAC Name1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine
SMILESC1=CCC2C(=C1)c1cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)c1C21c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C64H44N4/c1-5-20-43(21-6-1)45-38-40-49(41-39-45)68(50-29-17-28-48(42-50)44-22-7-2-8-23-44)58-37-19-33-54-52-31-14-16-36-57(52)64(60(54)58)56-35-15-13-30-51(56)53-32-18-34-55(59(53)64)63-66-61(46-24-9-3-10-25-46)65-62(67-63)47-26-11-4-12-27-47/h1-35,37-42,57H,36H2
InChIKeyWICPBZYGBLHFOL-UHFFFAOYSA-N
XLogP15.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine with MolForge

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Related Compounds

N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 121422425
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 121340784
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 142427405
N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727217
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine
CID 71249416
N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176818069
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine
CID 176818367
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167157315
N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162071525
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(3-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 161362577
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514

Frequently Asked Questions

What is the IUPAC name of 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine?
The IUPAC name of 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine (CID 123911645) is 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine.
What is the SMILES notation for 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine?
The canonical SMILES for 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine is C1=CCC2C(=C1)c1cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)c1C21c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21.
What is the InChIKey of 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine?
The InChIKey is WICPBZYGBLHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4/c1-5-20-43(21-6-1)45-38-40-49(41-39-45)68(50-29-17-28-48(42-50)44-22-7-2-8-23-44)58-37-19-33-54-52-31-14-16-36-57(52)64(60(54)58)56-35-15-13-30-51(56)53-32-18-34-55(59(53)64)63-66-61(46-24-9-3-10-25-46)65-62(67-63)47-26-11-4-12-27-47/h1-35,37-42,57H,36H2.
What are the key properties of 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine?
1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine has a molecular weight of 869.08 g/mol, XLogP of 15.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine is sourced from PubChem (CID 123911645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).