N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine

C44H32ClN — CID 144681311

IUPACN-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
SMILESC=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1ccc(N(c3ccc(Cl)cc3)c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C44H32ClN/c1-3-12-40-36(4-2)37-15-8-10-17-41(37)44(40)42-18-11-9-16-38(42)39-28-27-35(29-43(39)44)46(34-25-21-32(45)22-26-34)33-23-19-31(20-24-33)30-13-6-5-7-14-30/h3-29H,2H2,1H3/b12-3-
InChIKeyQFINQHSPSDSHBC-BASWHVEKSA-N
MW610.20 g/mol
LogP12.32
Rot. Bonds6

About N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine

N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine (PubChem CID 144681311) has the molecular formula C44H32ClN and a molecular weight of 610.20 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
PubChem CID144681311
Molecular FormulaC44H32ClN
Molecular Weight610.20 g/mol
Exact Mass609.22
IUPAC NameN-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
SMILESC=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1ccc(N(c3ccc(Cl)cc3)c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C44H32ClN/c1-3-12-40-36(4-2)37-15-8-10-17-41(37)44(40)42-18-11-9-16-38(42)39-28-27-35(29-43(39)44)46(34-25-21-32(45)22-26-34)33-23-19-31(20-24-33)30-13-6-5-7-14-30/h3-29H,2H2,1H3/b12-3-
InChIKeyQFINQHSPSDSHBC-BASWHVEKSA-N
XLogP12.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.20
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
CID 121463230
N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine
CID 134491053
N-[3-cyclohexa-1,5-dien-1-yl-1-ethenyl-3-phenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-3-amine
CID 142540910
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 167024948
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
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
3'-[(1Z)-buta-1,3-dienyl]-6'-chloro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine
CID 154973325
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
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-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?
The IUPAC name of N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine (CID 144681311) is N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine is C=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1ccc(N(c3ccc(Cl)cc3)c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?
The InChIKey is QFINQHSPSDSHBC-BASWHVEKSA-N. The full InChI is InChI=1S/C44H32ClN/c1-3-12-40-36(4-2)37-15-8-10-17-41(37)44(40)42-18-11-9-16-38(42)39-28-27-35(29-43(39)44)46(34-25-21-32(45)22-26-34)33-23-19-31(20-24-33)30-13-6-5-7-14-30/h3-29H,2H2,1H3/b12-3-.
What are the key properties of N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine has a molecular weight of 610.20 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine is sourced from PubChem (CID 144681311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).