(1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine

C55H47N — CID 144803314

IUPAC(1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine
SMILESC=C/C=C(\C=C/C)c1ccc2c(=C)/c(=C\C(=C/C)c3cccc(-c4cccc(C(/C=C(\N)c5ccccc5)=C/Cc5ccccc5)c4)c3)c3ccccc3c2c1
InChIInChI=1S/C55H47N/c1-5-18-42(19-6-2)48-32-33-50-39(4)53(51-28-14-15-29-52(51)54(50)37-48)36-41(7-3)44-24-16-25-45(34-44)46-26-17-27-47(35-46)49(31-30-40-20-10-8-11-21-40)38-55(56)43-22-12-9-13-23-43/h5-29,31-38H,1,4,30,56H2,2-3H3/b19-6-,41-7+,42-18+,49-31+,53-36+,55-38-
InChIKeyDZKLOMACIYRXTG-YTSQYLEZSA-N
MW721.99 g/mol
LogP12.73
Rot. Bonds11

About (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine

(1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine (PubChem CID 144803314) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine
PubChem CID144803314
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC Name(1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine
SMILESC=C/C=C(\C=C/C)c1ccc2c(=C)/c(=C\C(=C/C)c3cccc(-c4cccc(C(/C=C(\N)c5ccccc5)=C/Cc5ccccc5)c4)c3)c3ccccc3c2c1
InChIInChI=1S/C55H47N/c1-5-18-42(19-6-2)48-32-33-50-39(4)53(51-28-14-15-29-52(51)54(50)37-48)36-41(7-3)44-24-16-25-45(34-44)46-26-17-27-47(35-46)49(31-30-40-20-10-8-11-21-40)38-55(56)43-22-12-9-13-23-43/h5-29,31-38H,1,4,30,56H2,2-3H3/b19-6-,41-7+,42-18+,49-31+,53-36+,55-38-
InChIKeyDZKLOMACIYRXTG-YTSQYLEZSA-N
XLogP12.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 512.73
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)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine with MolForge

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Related Compounds

(1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine
CID 142297675
(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
CID 142296330
1-ethyl-3-[(3E,5E)-hepta-1,3,5-trien-4-yl]benzene
CID 145212494
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]triphenylene
CID 142607186
9-(2,4-diphenylphenyl)-2,3-bis(ethenyl)-10-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylphenyl]anthracene
CID 145493781
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
(1Z,3E)-3-[4-[5-[4-(1-amino-1-phenylethyl)phenyl]naphthalen-1-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine;methanimine;toluene
CID 142425214
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole
CID 167223078

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine (CID 144803314) is (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine is C=C/C=C(\C=C/C)c1ccc2c(=C)/c(=C\C(=C/C)c3cccc(-c4cccc(C(/C=C(\N)c5ccccc5)=C/Cc5ccccc5)c4)c3)c3ccccc3c2c1.
What is the InChIKey of (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine?
The InChIKey is DZKLOMACIYRXTG-YTSQYLEZSA-N. The full InChI is InChI=1S/C55H47N/c1-5-18-42(19-6-2)48-32-33-50-39(4)53(51-28-14-15-29-52(51)54(50)37-48)36-41(7-3)44-24-16-25-45(34-44)46-26-17-27-47(35-46)49(31-30-40-20-10-8-11-21-40)38-55(56)43-22-12-9-13-23-43/h5-29,31-38H,1,4,30,56H2,2-3H3/b19-6-,41-7+,42-18+,49-31+,53-36+,55-38-.
What are the key properties of (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine?
(1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine has a molecular weight of 721.99 g/mol, XLogP of 12.73, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[3-[3-[(E,1E)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-methylidenephenanthren-9-ylidene]but-2-en-2-yl]phenyl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 144803314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).