N-cyclopenta-1,3-dien-1-yl-N-phenylaniline

C17H14N- — CID 12826867

IUPACN-cyclopenta-1,3-dien-1-yl-N-phenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc[cH-]2)cc1
InChIInChI=1S/C17H14N/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H/q-1
InChIKeyJAQHXHZUNBNYDM-UHFFFAOYSA-N
MW232.31 g/mol
LogP4.88
Rot. Bonds3

About N-cyclopenta-1,3-dien-1-yl-N-phenylaniline

N-cyclopenta-1,3-dien-1-yl-N-phenylaniline (PubChem CID 12826867) has the molecular formula C17H14N- and a molecular weight of 232.31 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-yl-N-phenylaniline.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-yl-N-phenylaniline
PubChem CID12826867
Molecular FormulaC17H14N-
Molecular Weight232.31 g/mol
Exact Mass232.11
IUPAC NameN-cyclopenta-1,3-dien-1-yl-N-phenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc[cH-]2)cc1
InChIInChI=1S/C17H14N/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H/q-1
InChIKeyJAQHXHZUNBNYDM-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-cyclopenta-1,3-dien-1-yl-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diphenylaniline;silane
CID 131739129
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601
azane;N,N-diphenylaniline;methane
CID 174725062
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-yl-N-phenylaniline?
The IUPAC name of N-cyclopenta-1,3-dien-1-yl-N-phenylaniline (CID 12826867) is N-cyclopenta-1,3-dien-1-yl-N-phenylaniline.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-yl-N-phenylaniline?
The canonical SMILES for N-cyclopenta-1,3-dien-1-yl-N-phenylaniline is c1ccc(N(c2ccccc2)c2ccc[cH-]2)cc1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-yl-N-phenylaniline?
The InChIKey is JAQHXHZUNBNYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H/q-1.
What are the key properties of N-cyclopenta-1,3-dien-1-yl-N-phenylaniline?
N-cyclopenta-1,3-dien-1-yl-N-phenylaniline has a molecular weight of 232.31 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-yl-N-phenylaniline is sourced from PubChem (CID 12826867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).