N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine

C51H35N — CID 134568081

IUPACN-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
SMILESCCc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C51H35N/c1-2-33-26-28-34(29-27-33)52(49-25-13-21-44-38-15-4-3-14-36(38)37-16-5-6-20-43(37)50(44)49)35-30-31-42-41-19-9-12-24-47(41)51(48(42)32-35)45-22-10-7-17-39(45)40-18-8-11-23-46(40)51/h3-32H,2H2,1H3
InChIKeyGVPGCSYMJIUPFY-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.52
Rot. Bonds4

About N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine

N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 134568081) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID134568081
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
SMILESCCc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C51H35N/c1-2-33-26-28-34(29-27-33)52(49-25-13-21-44-38-15-4-3-14-36(38)37-16-5-6-20-43(37)50(44)49)35-30-31-42-41-19-9-12-24-47(41)51(48(42)32-35)45-22-10-7-17-39(45)40-18-8-11-23-46(40)51/h3-32H,2H2,1H3
InChIKeyGVPGCSYMJIUPFY-UHFFFAOYSA-N
XLogP13.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.52
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-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309032
N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 134568058
N-(9,9'-spirobi[fluorene]-2-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-1-amine
CID 130309037
N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309031
9-N',15-N'-bis(4-ethylphenyl)-9-N',15-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 140962756
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309086
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
N-(4-trimethylsilylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 161396411
N-(4-trimethylsilylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 160575058
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine (CID 134568081) is N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine is CCc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is GVPGCSYMJIUPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-2-33-26-28-34(29-27-33)52(49-25-13-21-44-38-15-4-3-14-36(38)37-16-5-6-20-43(37)50(44)49)35-30-31-42-41-19-9-12-24-47(41)51(48(42)32-35)45-22-10-7-17-39(45)40-18-8-11-23-46(40)51/h3-32H,2H2,1H3.
What are the key properties of N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 661.85 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 134568081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).