10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine

C50H38N2 — CID 175632429

IUPAC10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
SMILESC=C/C(=C\C=C/C)N1c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc32)c2ccccc21
InChIInChI=1S/C50H38N2/c1-3-5-20-38(4-2)52-48-27-16-14-25-45(48)50(46-26-15-17-28-49(46)52)44-24-13-12-23-42(44)43-34-33-41(35-47(43)50)51(39-21-10-7-11-22-39)40-31-29-37(30-32-40)36-18-8-6-9-19-36/h3-35H,2H2,1H3/b5-3-,38-20+
InChIKeyGUYCUMLEJNIAQF-ZARZSZITSA-N
MW666.87 g/mol
LogP13.28
Rot. Bonds7

About 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine

10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 175632429) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
PubChem CID175632429
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC Name10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
SMILESC=C/C(=C\C=C/C)N1c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc32)c2ccccc21
InChIInChI=1S/C50H38N2/c1-3-5-20-38(4-2)52-48-27-16-14-25-45(48)50(46-26-15-17-28-49(46)52)44-24-13-12-23-42(44)43-34-33-41(35-47(43)50)51(39-21-10-7-11-22-39)40-31-29-37(30-32-40)36-18-8-6-9-19-36/h3-35H,2H2,1H3/b5-3-,38-20+
InChIKeyGUYCUMLEJNIAQF-ZARZSZITSA-N
XLogP13.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine 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

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-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
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
N-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 145276633
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632

Frequently Asked Questions

What is the IUPAC name of 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine?
The IUPAC name of 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine (CID 175632429) is 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine.
What is the SMILES notation for 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine?
The canonical SMILES for 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine is C=C/C(=C\C=C/C)N1c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc32)c2ccccc21.
What is the InChIKey of 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine?
The InChIKey is GUYCUMLEJNIAQF-ZARZSZITSA-N. The full InChI is InChI=1S/C50H38N2/c1-3-5-20-38(4-2)52-48-27-16-14-25-45(48)50(46-26-15-17-28-49(46)52)44-24-13-12-23-42(44)43-34-33-41(35-47(43)50)51(39-21-10-7-11-22-39)40-31-29-37(30-32-40)36-18-8-6-9-19-36/h3-35H,2H2,1H3/b5-3-,38-20+.
What are the key properties of 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine?
10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 666.87 g/mol, XLogP of 13.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 175632429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).