N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine

C40H33N — CID 145291017

IUPACN-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c(/C=C\C=C/CNC3=Cc4ccccc4CC3)cccc21
InChIInChI=1S/C40H33N/c1(11-26-41-31-25-24-28-13-3-4-15-30(28)27-31)2-14-29-16-12-23-38-39(29)34-19-7-10-22-37(34)40(38)35-20-8-5-17-32(35)33-18-6-9-21-36(33)40/h1-5,7-17,19-23,27,41H,6,18,24-26H2/b11-1-,14-2-
InChIKeyBHCDQFFLPJSOAZ-QCGUCYPPSA-N
MW527.71 g/mol
LogP9.26
Rot. Bonds5

About N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine

N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine (PubChem CID 145291017) has the molecular formula C40H33N and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine
PubChem CID145291017
Molecular FormulaC40H33N
Molecular Weight527.71 g/mol
Exact Mass527.26
IUPAC NameN-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c(/C=C\C=C/CNC3=Cc4ccccc4CC3)cccc21
InChIInChI=1S/C40H33N/c1(11-26-41-31-25-24-28-13-3-4-15-30(28)27-31)2-14-29-16-12-23-38-39(29)34-19-7-10-22-37(34)40(38)35-20-8-5-17-32(35)33-18-6-9-21-36(33)40/h1-5,7-17,19-23,27,41H,6,18,24-26H2/b11-1-,14-2-
InChIKeyBHCDQFFLPJSOAZ-QCGUCYPPSA-N
XLogP9.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 59.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]
CID 167118030
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079
[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine
CID 166924257
7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 89067123
5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine
CID 123370130
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine?
The IUPAC name of N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine (CID 145291017) is N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine.
What is the SMILES notation for N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine?
The canonical SMILES for N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c(/C=C\C=C/CNC3=Cc4ccccc4CC3)cccc21.
What is the InChIKey of N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine?
The InChIKey is BHCDQFFLPJSOAZ-QCGUCYPPSA-N. The full InChI is InChI=1S/C40H33N/c1(11-26-41-31-25-24-28-13-3-4-15-30(28)27-31)2-14-29-16-12-23-38-39(29)34-19-7-10-22-37(34)40(38)35-20-8-5-17-32(35)33-18-6-9-21-36(33)40/h1-5,7-17,19-23,27,41H,6,18,24-26H2/b11-1-,14-2-.
What are the key properties of N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine?
N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine has a molecular weight of 527.71 g/mol, XLogP of 9.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine is sourced from PubChem (CID 145291017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).