N-cyclohexa-1,3-dien-1-yl-4-phenylaniline

C18H17N — CID 134504686

IUPACN-cyclohexa-1,3-dien-1-yl-4-phenylaniline
SMILESC1=CCCC(Nc2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C18H17N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-5,7-9,11-14,19H,6,10H2
InChIKeyFDEWIUQTCAPZRM-UHFFFAOYSA-N
MW247.34 g/mol
LogP5.00
Rot. Bonds3

About N-cyclohexa-1,3-dien-1-yl-4-phenylaniline

N-cyclohexa-1,3-dien-1-yl-4-phenylaniline (PubChem CID 134504686) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-4-phenylaniline.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-4-phenylaniline
PubChem CID134504686
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC NameN-cyclohexa-1,3-dien-1-yl-4-phenylaniline
SMILESC1=CCCC(Nc2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C18H17N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-5,7-9,11-14,19H,6,10H2
InChIKeyFDEWIUQTCAPZRM-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
CID 153115110
(1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine
CID 87249940
N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine
CID 135162890
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene
CID 170130172
N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline
CID 155274052
N-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylaniline;ethane;2,3,3-trimethylpentane
CID 143010060
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-4-phenylaniline?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-4-phenylaniline (CID 134504686) is N-cyclohexa-1,3-dien-1-yl-4-phenylaniline.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-4-phenylaniline?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-4-phenylaniline is C1=CCCC(Nc2ccc(-c3ccccc3)cc2)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-4-phenylaniline?
The InChIKey is FDEWIUQTCAPZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-5,7-9,11-14,19H,6,10H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-4-phenylaniline?
N-cyclohexa-1,3-dien-1-yl-4-phenylaniline has a molecular weight of 247.34 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-4-phenylaniline is sourced from PubChem (CID 134504686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).