(E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine

C49H43N — CID 144746017

IUPAC(E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine
SMILESC/C=C\C(=C1\C=CC=CC1)c1cccc(/C(=C/C(N)c2cccc(-c3ccccc3)c2)c2cccc(-c3cccc(C4=CC=CCC4)c3)c2)c1
InChIInChI=1S/C49H43N/c1-2-16-47(38-21-10-5-11-22-38)43-27-15-29-45(34-43)48(35-49(50)46-30-14-24-40(33-46)37-19-8-4-9-20-37)44-28-13-26-42(32-44)41-25-12-23-39(31-41)36-17-6-3-7-18-36/h2-6,8-17,19-21,23-35,49H,7,18,22,50H2,1H3/b16-2-,47-38+,48-35+
InChIKeyKFWOCEXODSHPHW-YVIKGUSZSA-N
MW645.89 g/mol
LogP12.73
Rot. Bonds9

About (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine

(E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine (PubChem CID 144746017) has the molecular formula C49H43N and a molecular weight of 645.89 g/mol. Its IUPAC name is (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine
PubChem CID144746017
Molecular FormulaC49H43N
Molecular Weight645.89 g/mol
Exact Mass645.34
IUPAC Name(E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine
SMILESC/C=C\C(=C1\C=CC=CC1)c1cccc(/C(=C/C(N)c2cccc(-c3ccccc3)c2)c2cccc(-c3cccc(C4=CC=CCC4)c3)c2)c1
InChIInChI=1S/C49H43N/c1-2-16-47(38-21-10-5-11-22-38)43-27-15-29-45(34-43)48(35-49(50)46-30-14-24-40(33-46)37-19-8-4-9-20-37)44-28-13-26-42(32-44)41-25-12-23-39(31-41)36-17-6-3-7-18-36/h2-6,8-17,19-21,23-35,49H,7,18,22,50H2,1H3/b16-2-,47-38+,48-35+
InChIKeyKFWOCEXODSHPHW-YVIKGUSZSA-N
XLogP12.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.89
LogP ≤ 512.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine with MolForge

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Related Compounds

1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
(2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine
CID 144815881
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
(2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine
CID 144640465
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
6-[4-[4-[8-(aminomethyl)dibenzofuran-1-yl]phenyl]phenyl]benzene-1,2,3,4,5-pentol;1-cyclohexa-1,3-dien-1-yl-3-(1-phenylethyl)benzene
CID 142352930
2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane
CID 144659778
(2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine
CID 142504385
1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene
CID 143691822
4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene
CID 144984728
1-[10-(3-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174290733

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine (CID 144746017) is (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine is C/C=C\C(=C1\C=CC=CC1)c1cccc(/C(=C/C(N)c2cccc(-c3ccccc3)c2)c2cccc(-c3cccc(C4=CC=CCC4)c3)c2)c1.
What is the InChIKey of (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine?
The InChIKey is KFWOCEXODSHPHW-YVIKGUSZSA-N. The full InChI is InChI=1S/C49H43N/c1-2-16-47(38-21-10-5-11-22-38)43-27-15-29-45(34-43)48(35-49(50)46-30-14-24-40(33-46)37-19-8-4-9-20-37)44-28-13-26-42(32-44)41-25-12-23-39(31-41)36-17-6-3-7-18-36/h2-6,8-17,19-21,23-35,49H,7,18,22,50H2,1H3/b16-2-,47-38+,48-35+.
What are the key properties of (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine?
(E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine has a molecular weight of 645.89 g/mol, XLogP of 12.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 144746017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).