N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole

C20H19N3 — CID 161076953

IUPACN,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc(N(c2ccccc2)c2cc[nH]c2)cc1
InChIInChI=1S/C16H14N2.C4H5N/c1-3-7-14(8-4-1)18(16-11-12-17-13-16)15-9-5-2-6-10-15;1-2-4-5-3-1/h1-13,17H;1-5H
InChIKeyUFKFJAJBPGXHKL-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.50
Rot. Bonds3

About N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole

N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole (PubChem CID 161076953) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole.

Molecular Properties

Compound NameN,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole
PubChem CID161076953
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC NameN,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc(N(c2ccccc2)c2cc[nH]c2)cc1
InChIInChI=1S/C16H14N2.C4H5N/c1-3-7-14(8-4-1)18(16-11-12-17-13-16)15-9-5-2-6-10-15;1-2-4-5-3-1/h1-13,17H;1-5H
InChIKeyUFKFJAJBPGXHKL-UHFFFAOYSA-N
XLogP5.50
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenylaniline;silane
CID 131739129
N,N-diphenylaniline;oxadiazole;1H-pyrrole
CID 174890335
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole?
The IUPAC name of N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole (CID 161076953) is N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole.
What is the SMILES notation for N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole?
The canonical SMILES for N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole is c1cc[nH]c1.c1ccc(N(c2ccccc2)c2cc[nH]c2)cc1.
What is the InChIKey of N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole?
The InChIKey is UFKFJAJBPGXHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2.C4H5N/c1-3-7-14(8-4-1)18(16-11-12-17-13-16)15-9-5-2-6-10-15;1-2-4-5-3-1/h1-13,17H;1-5H.
What are the key properties of N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole?
N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole has a molecular weight of 301.39 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole is sourced from PubChem (CID 161076953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).