4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine

C61H44N2 — CID 144781103

IUPAC4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine
SMILESC=C/C=C\C=C/N(c1ccccc1)c1cc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C61H44N2/c1-2-3-4-20-41-62(48-23-10-6-11-24-48)59-43-51(42-58-60(59)54-29-16-19-32-57(54)61(58)55-30-17-14-27-52(55)53-28-15-18-31-56(53)61)63(49-25-12-7-13-26-49)50-39-37-47(38-40-50)46-35-33-45(34-36-46)44-21-8-5-9-22-44/h2-43H,1H2/b4-3-,41-20-
InChIKeyKDBKRKRJRHFHTL-ZGNWHGEJSA-N
MW805.04 g/mol
LogP16.23
Rot. Bonds10

About 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine

4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine (PubChem CID 144781103) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine.

Molecular Properties

Compound Name4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine
PubChem CID144781103
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC Name4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine
SMILESC=C/C=C\C=C/N(c1ccccc1)c1cc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C61H44N2/c1-2-3-4-20-41-62(48-23-10-6-11-24-48)59-43-51(42-58-60(59)54-29-16-19-32-57(54)61(58)55-30-17-14-27-52(55)53-28-15-18-31-56(53)61)63(49-25-12-7-13-26-49)50-39-37-47(38-40-50)46-35-33-45(34-36-46)44-21-8-5-9-22-44/h2-43H,1H2/b4-3-,41-20-
InChIKeyKDBKRKRJRHFHTL-ZGNWHGEJSA-N
XLogP16.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine
CID 153313702
CID 171402038
CID 171402038
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
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
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
CID 118153657
CID 118153657
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274

Frequently Asked Questions

What is the IUPAC name of 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine?
The IUPAC name of 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine (CID 144781103) is 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine.
What is the SMILES notation for 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine?
The canonical SMILES for 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine is C=C/C=C\C=C/N(c1ccccc1)c1cc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine?
The InChIKey is KDBKRKRJRHFHTL-ZGNWHGEJSA-N. The full InChI is InChI=1S/C61H44N2/c1-2-3-4-20-41-62(48-23-10-6-11-24-48)59-43-51(42-58-60(59)54-29-16-19-32-57(54)61(58)55-30-17-14-27-52(55)53-28-15-18-31-56(53)61)63(49-25-12-7-13-26-49)50-39-37-47(38-40-50)46-35-33-45(34-36-46)44-21-8-5-9-22-44/h2-43H,1H2/b4-3-,41-20-.
What are the key properties of 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine?
4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine has a molecular weight of 805.04 g/mol, XLogP of 16.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-N',4-N'-diphenyl-2-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',4'-diamine is sourced from PubChem (CID 144781103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).