(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C67H47NO — CID 145242811

IUPAC(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESC/C=C\C.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C63H39NO.C4H8/c1-2-13-48-41(12-1)24-25-44-38-43(30-36-49(44)48)40-26-31-45(32-27-40)64(46-33-28-42(29-34-46)50-18-11-19-56-55-17-6-10-23-61(55)65-62(50)56)47-35-37-54-53-16-5-9-22-59(53)63(60(54)39-47)57-20-7-3-14-51(57)52-15-4-8-21-58(52)63;1-3-4-2/h1-39H;3-4H,1-2H3/b;4-3-
InChIKeyHDOLCLHCTSDLPL-QGAMPUOQSA-N
MW882.12 g/mol
LogP18.62
Rot. Bonds5

About (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 145242811) has the molecular formula C67H47NO and a molecular weight of 882.12 g/mol. Its IUPAC name is (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID145242811
Molecular FormulaC67H47NO
Molecular Weight882.12 g/mol
Exact Mass881.37
IUPAC Name(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESC/C=C\C.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C63H39NO.C4H8/c1-2-13-48-41(12-1)24-25-44-38-43(30-36-49(44)48)40-26-31-45(32-27-40)64(46-33-28-42(29-34-46)50-18-11-19-56-55-17-6-10-23-61(55)65-62(50)56)47-35-37-54-53-16-5-9-22-59(53)63(60(54)39-47)57-20-7-3-14-51(57)52-15-4-8-21-58(52)63;1-3-4-2/h1-39H;3-4H,1-2H3/b;4-3-
InChIKeyHDOLCLHCTSDLPL-QGAMPUOQSA-N
XLogP18.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.12
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168805359
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383308
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298418
9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine
CID 177080206
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 135229518

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 145242811) is (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is C/C=C\C.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.
What is the InChIKey of (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is HDOLCLHCTSDLPL-QGAMPUOQSA-N. The full InChI is InChI=1S/C63H39NO.C4H8/c1-2-13-48-41(12-1)24-25-44-38-43(30-36-49(44)48)40-26-31-45(32-27-40)64(46-33-28-42(29-34-46)50-18-11-19-56-55-17-6-10-23-61(55)65-62(50)56)47-35-37-54-53-16-5-9-22-59(53)63(60(54)39-47)57-20-7-3-14-51(57)52-15-4-8-21-58(52)63;1-3-4-2/h1-39H;3-4H,1-2H3/b;4-3-.
What are the key properties of (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 882.12 g/mol, XLogP of 18.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 145242811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).