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

C64H44N4O — CID 123261989

IUPACN-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2c(N(c3ccc(Oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C64H44N4O/c1-4-17-43(18-5-1)44-31-35-48(36-32-44)68(59-30-16-29-58-60(59)54-25-12-15-28-57(54)64(58)55-26-13-10-23-52(55)53-24-11-14-27-56(53)64)49-37-41-51(42-38-49)69-50-39-33-47(34-40-50)63-66-61(45-19-6-2-7-20-45)65-62(67-63)46-21-8-3-9-22-46/h1-13,15-26,28-42H,14,27H2
InChIKeyFVUDHIMDGNIBPX-UHFFFAOYSA-N
MW885.08 g/mol
LogP16.23
Rot. Bonds9

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

N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine (PubChem CID 123261989) has the molecular formula C64H44N4O and a molecular weight of 885.08 g/mol. Its IUPAC name is N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine
PubChem CID123261989
Molecular FormulaC64H44N4O
Molecular Weight885.08 g/mol
Exact Mass884.35
IUPAC NameN-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2c(N(c3ccc(Oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C64H44N4O/c1-4-17-43(18-5-1)44-31-35-48(36-32-44)68(59-30-16-29-58-60(59)54-25-12-15-28-57(54)64(58)55-26-13-10-23-52(55)53-24-11-14-27-56(53)64)49-37-41-51(42-38-49)69-50-39-33-47(34-40-50)63-66-61(45-19-6-2-7-20-45)65-62(67-63)46-21-8-3-9-22-46/h1-13,15-26,28-42H,14,27H2
InChIKeyFVUDHIMDGNIBPX-UHFFFAOYSA-N
XLogP16.23
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.08
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 156558420
CID 118153763
CID 118153763
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine
CID 142521254
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 118699638
2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134569779
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrofluoren-2-yl]-9-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 167160929
N-[4-[4-[6-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 68546573
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine?
The IUPAC name of N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine (CID 123261989) is N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine.
What is the SMILES notation for N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine?
The canonical SMILES for N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2c(N(c3ccc(Oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine?
The InChIKey is FVUDHIMDGNIBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4O/c1-4-17-43(18-5-1)44-31-35-48(36-32-44)68(59-30-16-29-58-60(59)54-25-12-15-28-57(54)64(58)55-26-13-10-23-52(55)53-24-11-14-27-56(53)64)49-37-41-51(42-38-49)69-50-39-33-47(34-40-50)63-66-61(45-19-6-2-7-20-45)65-62(67-63)46-21-8-3-9-22-46/h1-13,15-26,28-42H,14,27H2.
What are the key properties of N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine?
N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine has a molecular weight of 885.08 g/mol, XLogP of 16.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 123261989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).