N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline

C16H13N — CID 134425987

IUPACN-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline
SMILESC1=CC=CC=1N(C1=CC=CC1)c1ccccc1
InChIInChI=1S/C16H13N/c1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16/h1-10,12H,11H2
InChIKeyDTCOQCPGPOGUHO-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.95
Rot. Bonds3

About N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline

N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline (PubChem CID 134425987) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline
PubChem CID134425987
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC NameN-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline
SMILESC1=CC=CC=1N(C1=CC=CC1)c1ccccc1
InChIInChI=1S/C16H13N/c1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16/h1-10,12H,11H2
InChIKeyDTCOQCPGPOGUHO-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopenta-1,2,4-trien-1-yl-3-methyl-N-phenylaniline
CID 134173102
1-N-cyclohepta-1,3,5-trien-1-yl-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 142961371
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine
CID 155371747
N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline
CID 137467025
5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine
CID 144696503
4-[5-[4-[cyclohexen-1-yl(cyclopenta-1,2,4-trien-1-yl)amino]phenyl]-3-pyridinyl]-N,N-diphenylaniline
CID 155085328
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036
N-cyclohexa-1,3-dien-1-yl-N-methylaniline
CID 90128279
N-cyclohepta-1,3,5-trien-1-yl-N-phenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine
CID 137469119
1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane
CID 145203844
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline
CID 170319221
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline?
The IUPAC name of N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline (CID 134425987) is N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline?
The canonical SMILES for N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline is C1=CC=CC=1N(C1=CC=CC1)c1ccccc1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline?
The InChIKey is DTCOQCPGPOGUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16/h1-10,12H,11H2.
What are the key properties of N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline?
N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline has a molecular weight of 219.29 g/mol, XLogP of 3.95, 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-cyclopenta-1,2,4-trien-1-ylaniline is sourced from PubChem (CID 134425987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).