(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine

C28H23N — CID 170397767

IUPAC(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine
SMILESC=c1cccc/c1=C/C(=C\N)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23N/c1-21-7-5-6-10-27(21)19-28(20-29)26-17-15-25(16-18-26)24-13-11-23(12-14-24)22-8-3-2-4-9-22/h2-20H,1,29H2/b27-19-,28-20+
InChIKeyZKMKMQBQIXNGLR-RIRMOVKSSA-N
MW373.50 g/mol
LogP5.21
Rot. Bonds4

About (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine

(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine (PubChem CID 170397767) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine
PubChem CID170397767
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine
SMILESC=c1cccc/c1=C/C(=C\N)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23N/c1-21-7-5-6-10-27(21)19-28(20-29)26-17-15-25(16-18-26)24-13-11-23(12-14-24)22-8-3-2-4-9-22/h2-20H,1,29H2/b27-19-,28-20+
InChIKeyZKMKMQBQIXNGLR-RIRMOVKSSA-N
XLogP5.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-phenylphenyl)ethenethiol
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1-(1-bromoethenyl)-4-phenylbenzene
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1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
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N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 88567954
ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
CID 145067455
N-[4-(4-hexa-1,3,5-trien-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 123956268
1-hexa-2,5-dien-3-yl-4-phenylbenzene
CID 173362855
benzene;tris(1,1'-biphenyl)
CID 162155747

Frequently Asked Questions

What is the IUPAC name of (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine?
The IUPAC name of (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine (CID 170397767) is (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine.
What is the SMILES notation for (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine?
The canonical SMILES for (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine is C=c1cccc/c1=C/C(=C\N)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine?
The InChIKey is ZKMKMQBQIXNGLR-RIRMOVKSSA-N. The full InChI is InChI=1S/C28H23N/c1-21-7-5-6-10-27(21)19-28(20-29)26-17-15-25(16-18-26)24-13-11-23(12-14-24)22-8-3-2-4-9-22/h2-20H,1,29H2/b27-19-,28-20+.
What are the key properties of (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine?
(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine has a molecular weight of 373.50 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine is sourced from PubChem (CID 170397767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).