4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

C59H41N — CID 177116950

IUPAC4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
SMILESC=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C=C)cc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C59H41N/c1-3-40-17-21-42(22-18-40)44-25-32-48(33-26-44)60(49-34-27-45(28-35-49)43-23-19-41(4-2)20-24-43)50-36-29-46(30-37-50)47-31-38-54-53-13-7-10-16-57(53)59(58(54)39-47)55-14-8-5-11-51(55)52-12-6-9-15-56(52)59/h3-39H,1-2H2
InChIKeyHSOGRIQRLHMNJB-UHFFFAOYSA-N
MW763.98 g/mol
LogP15.79
Rot. Bonds8

About 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (PubChem CID 177116950) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
PubChem CID177116950
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC Name4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
SMILESC=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C=C)cc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C59H41N/c1-3-40-17-21-42(22-18-40)44-25-32-48(33-26-44)60(49-34-27-45(28-35-49)43-23-19-41(4-2)20-24-43)50-36-29-46(30-37-50)47-31-38-54-53-13-7-10-16-57(53)59(58(54)39-47)55-14-8-5-11-51(55)52-12-6-9-15-56(52)59/h3-39H,1-2H2
InChIKeyHSOGRIQRLHMNJB-UHFFFAOYSA-N
XLogP15.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146386855
9-[4-(4-ethenylphenyl)sulfanylphenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenyl)sulfanylphenyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146516601
2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 153313800
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 130260406
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541545
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-(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,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline
CID 90164601

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The IUPAC name of 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (CID 177116950) is 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The canonical SMILES for 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is C=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C=C)cc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The InChIKey is HSOGRIQRLHMNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-3-40-17-21-42(22-18-40)44-25-32-48(33-26-44)60(49-34-27-45(28-35-49)43-23-19-41(4-2)20-24-43)50-36-29-46(30-37-50)47-31-38-54-53-13-7-10-16-57(53)59(58(54)39-47)55-14-8-5-11-51(55)52-12-6-9-15-56(52)59/h3-39H,1-2H2.
What are the key properties of 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline has a molecular weight of 763.98 g/mol, XLogP of 15.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is sourced from PubChem (CID 177116950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).