(1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine

C60H45N — CID 145452629

IUPAC(1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine
SMILESN/C(=C\C(=C/CC1=CCCC=C1)c1cccc2c3ccccc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc3c12)c1ccccc1
InChIInChI=1S/C60H45N/c61-58(42-20-7-2-8-21-42)40-45(33-32-41-18-5-1-6-19-41)48-29-17-30-53-49-26-13-14-27-50(49)55-38-43(35-37-54(55)59(48)53)44-34-36-52-51-28-15-16-31-56(51)60(57(52)39-44,46-22-9-3-10-23-46)47-24-11-4-12-25-47/h2-5,7-31,33-40H,1,6,32,61H2/b45-33+,58-40-
InChIKeyJDCYMHITUICTOS-LYWQRGQOSA-N
MW780.03 g/mol
LogP15.23
Rot. Bonds8

About (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine

(1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine (PubChem CID 145452629) has the molecular formula C60H45N and a molecular weight of 780.03 g/mol. Its IUPAC name is (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine
PubChem CID145452629
Molecular FormulaC60H45N
Molecular Weight780.03 g/mol
Exact Mass779.36
IUPAC Name(1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine
SMILESN/C(=C\C(=C/CC1=CCCC=C1)c1cccc2c3ccccc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc3c12)c1ccccc1
InChIInChI=1S/C60H45N/c61-58(42-20-7-2-8-21-42)40-45(33-32-41-18-5-1-6-19-41)48-29-17-30-53-49-26-13-14-27-50(49)55-38-43(35-37-54(55)59(48)53)44-34-36-52-51-28-15-16-31-56(51)60(57(52)39-44,46-22-9-3-10-23-46)47-24-11-4-12-25-47/h2-5,7-31,33-40H,1,6,32,61H2/b45-33+,58-40-
InChIKeyJDCYMHITUICTOS-LYWQRGQOSA-N
XLogP15.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 515.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine with MolForge

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Related Compounds

(1Z,3E)-5-cyclohexa-1,5-dien-1-yl-1-phenyl-3-[4-[3-(9,9'-spirobi[fluorene]-3-yl)carbazol-9-yl]phenyl]penta-1,3-dien-1-amine;ethane;toluene
CID 145341014
2-cyclohexa-1,5-dien-1-yl-4-[11-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-6-phenylpyrimidine
CID 145452827
(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
CID 142296330
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
2-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138600364
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]methanamine;methanimine;toluene
CID 145452603
4-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138600177
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine (CID 145452629) is (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine is N/C(=C\C(=C/CC1=CCCC=C1)c1cccc2c3ccccc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc3c12)c1ccccc1.
What is the InChIKey of (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine?
The InChIKey is JDCYMHITUICTOS-LYWQRGQOSA-N. The full InChI is InChI=1S/C60H45N/c61-58(42-20-7-2-8-21-42)40-45(33-32-41-18-5-1-6-19-41)48-29-17-30-53-49-26-13-14-27-50(49)55-38-43(35-37-54(55)59(48)53)44-34-36-52-51-28-15-16-31-56(51)60(57(52)39-44,46-22-9-3-10-23-46)47-24-11-4-12-25-47/h2-5,7-31,33-40H,1,6,32,61H2/b45-33+,58-40-.
What are the key properties of (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine?
(1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine has a molecular weight of 780.03 g/mol, XLogP of 15.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 145452629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).