N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C55H35N — CID 134567998

IUPACN-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H35N/c1-2-14-38(15-3-1)56(39-29-26-36(27-30-39)37-28-32-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)50(45)34-37)40-31-33-49-48-22-10-13-25-53(48)55(54(49)35-40)51-23-11-8-20-46(51)47-21-9-12-24-52(47)55/h1-35H
InChIKeyWKLWKPBIBFYOJQ-UHFFFAOYSA-N
MW709.89 g/mol
LogP14.63
Rot. Bonds4

About N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 134567998) has the molecular formula C55H35N and a molecular weight of 709.89 g/mol. Its IUPAC name is N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID134567998
Molecular FormulaC55H35N
Molecular Weight709.89 g/mol
Exact Mass709.28
IUPAC NameN-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H35N/c1-2-14-38(15-3-1)56(39-29-26-36(27-30-39)37-28-32-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)50(45)34-37)40-31-33-49-48-22-10-13-25-53(48)55(54(49)35-40)51-23-11-8-20-46(51)47-21-9-12-24-52(47)55/h1-35H
InChIKeyWKLWKPBIBFYOJQ-UHFFFAOYSA-N
XLogP14.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 134568039
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308912
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 59306973
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 134567998) is N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is WKLWKPBIBFYOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N/c1-2-14-38(15-3-1)56(39-29-26-36(27-30-39)37-28-32-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)50(45)34-37)40-31-33-49-48-22-10-13-25-53(48)55(54(49)35-40)51-23-11-8-20-46(51)47-21-9-12-24-52(47)55/h1-35H.
What are the key properties of N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 709.89 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 134567998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).