(Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine

C27H24ClN — CID 175619830

IUPAC(Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine
SMILESN/C(=C\Cc1ccc(C2=CCCC=C2)c(-c2ccccc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C27H24ClN/c28-24-13-7-12-23(19-24)27(29)17-15-20-14-16-25(21-8-3-1-4-9-21)26(18-20)22-10-5-2-6-11-22/h2-3,5-14,16-19H,1,4,15,29H2/b27-17-
InChIKeyHGGVZKHLAVCOHL-PKAZHMFMSA-N
MW397.95 g/mol
LogP7.28
Rot. Bonds5

About (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine

(Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine (PubChem CID 175619830) has the molecular formula C27H24ClN and a molecular weight of 397.95 g/mol. Its IUPAC name is (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine
PubChem CID175619830
Molecular FormulaC27H24ClN
Molecular Weight397.95 g/mol
Exact Mass397.16
IUPAC Name(Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine
SMILESN/C(=C\Cc1ccc(C2=CCCC=C2)c(-c2ccccc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C27H24ClN/c28-24-13-7-12-23(19-24)27(29)17-15-20-14-16-25(21-8-3-1-4-9-21)26(18-20)22-10-5-2-6-11-22/h2-3,5-14,16-19H,1,4,15,29H2/b27-17-
InChIKeyHGGVZKHLAVCOHL-PKAZHMFMSA-N
XLogP7.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(3-methylphenyl)benzene;(Z)-1,3-diphenylprop-1-en-1-amine
CID 145299888
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one
CID 129170615
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
1-cyclohexa-1,5-dien-1-yl-2-[4-[3-cyclohexa-1,5-dien-1-yl-2-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]-3,4-diphenylbenzene
CID 172627543
5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide
CID 67556659
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174349088
4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine
CID 144834752
(Z)-3-amino-3-(3-chlorophenyl)prop-2-enoic acid
CID 69004283

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine?
The IUPAC name of (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine (CID 175619830) is (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine is N/C(=C\Cc1ccc(C2=CCCC=C2)c(-c2ccccc2)c1)c1cccc(Cl)c1.
What is the InChIKey of (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine?
The InChIKey is HGGVZKHLAVCOHL-PKAZHMFMSA-N. The full InChI is InChI=1S/C27H24ClN/c28-24-13-7-12-23(19-24)27(29)17-15-20-14-16-25(21-8-3-1-4-9-21)26(18-20)22-10-5-2-6-11-22/h2-3,5-14,16-19H,1,4,15,29H2/b27-17-.
What are the key properties of (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine?
(Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine has a molecular weight of 397.95 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-chlorophenyl)-3-(4-cyclohexa-1,5-dien-1-yl-3-phenylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 175619830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).