2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine

C58H44N2 — CID 166894459

IUPAC2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCC/C=C\C(=C1\C=CC=CC1)N(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3cccc4ccccc34)ccc1-2
InChIInChI=1S/C58H44N2/c1-2-3-33-56(42-21-7-4-8-22-42)59(43-24-9-5-10-25-43)45-35-37-50-51-38-36-46(60(44-26-11-6-12-27-44)57-34-19-23-41-20-13-14-28-47(41)57)40-55(51)58(54(50)39-45)52-31-17-15-29-48(52)49-30-16-18-32-53(49)58/h3-21,23-40H,2,22H2,1H3/b33-3-,56-42+
InChIKeyKNYXVUKAEMRSPV-MXTLECRLSA-N
MW769.00 g/mol
LogP15.53
Rot. Bonds8

About 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine

2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 166894459) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
PubChem CID166894459
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCC/C=C\C(=C1\C=CC=CC1)N(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3cccc4ccccc34)ccc1-2
InChIInChI=1S/C58H44N2/c1-2-3-33-56(42-21-7-4-8-22-42)59(43-24-9-5-10-25-43)45-35-37-50-51-38-36-46(60(44-26-11-6-12-27-44)57-34-19-23-41-20-13-14-28-47(41)57)40-55(51)58(54(50)39-45)52-31-17-15-29-48(52)49-30-16-18-32-53(49)58/h3-21,23-40H,2,22H2,1H3/b33-3-,56-42+
InChIKeyKNYXVUKAEMRSPV-MXTLECRLSA-N
XLogP15.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine with MolForge

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Related Compounds

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,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
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
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317
2-N-naphthalen-1-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791654
2-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-7-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 171470496
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
N,7'-dinaphthalen-1-yl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 144583894
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 158384191
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156821317
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130

Frequently Asked Questions

What is the IUPAC name of 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine?
The IUPAC name of 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine (CID 166894459) is 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine?
The canonical SMILES for 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine is CC/C=C\C(=C1\C=CC=CC1)N(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3cccc4ccccc34)ccc1-2.
What is the InChIKey of 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine?
The InChIKey is KNYXVUKAEMRSPV-MXTLECRLSA-N. The full InChI is InChI=1S/C58H44N2/c1-2-3-33-56(42-21-7-4-8-22-42)59(43-24-9-5-10-25-43)45-35-37-50-51-38-36-46(60(44-26-11-6-12-27-44)57-34-19-23-41-20-13-14-28-47(41)57)40-55(51)58(54(50)39-45)52-31-17-15-29-48(52)49-30-16-18-32-53(49)58/h3-21,23-40H,2,22H2,1H3/b33-3-,56-42+.
What are the key properties of 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine?
2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 769.00 g/mol, XLogP of 15.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 166894459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).