N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine

C19H15N — CID 163547721

IUPACN,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine
SMILESC1#CCC=CC(N(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C19H15N/c1-2-6-12-17(11-5-1)20(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h3-5,7-16H,1H2
InChIKeyFGLQGFBBTCCTEA-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.67
Rot. Bonds3

About N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine

N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine (PubChem CID 163547721) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine.

Molecular Properties

Compound NameN,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine
PubChem CID163547721
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC NameN,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine
SMILESC1#CCC=CC(N(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C19H15N/c1-2-6-12-17(11-5-1)20(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h3-5,7-16H,1H2
InChIKeyFGLQGFBBTCCTEA-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-[4-[4-(N-cyclohepta-1,6-dien-3-yn-1-ylanilino)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine
CID 143099271
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N,N-diphenylaniline;silane
CID 131739129
1-N,5-N-di(cyclohepta-1,3,6-trien-1-yl)-2,4,6-triethyl-1-N,3-N,3-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 129146041
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601
azane;N,N-diphenylaniline;methane
CID 174725062
1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine?
The IUPAC name of N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine (CID 163547721) is N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine.
What is the SMILES notation for N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine?
The canonical SMILES for N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine is C1#CCC=CC(N(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine?
The InChIKey is FGLQGFBBTCCTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-2-6-12-17(11-5-1)20(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h3-5,7-16H,1H2.
What are the key properties of N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine?
N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine has a molecular weight of 257.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylcyclohepta-1,6-dien-3-yn-1-amine is sourced from PubChem (CID 163547721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).