2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C19H16N2 — CID 102416621

IUPAC2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1c[nH]c(C(c2ccc3ccccc3c2)c2ccc[nH]2)c1
InChIInChI=1S/C19H16N2/c1-2-6-15-13-16(10-9-14(15)5-1)19(17-7-3-11-20-17)18-8-4-12-21-18/h1-13,19-21H
InChIKeyCXYHFLIKJTVUPD-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.68
Rot. Bonds3

About 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 102416621) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID102416621
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1c[nH]c(C(c2ccc3ccccc3c2)c2ccc[nH]2)c1
InChIInChI=1S/C19H16N2/c1-2-6-15-13-16(10-9-14(15)5-1)19(17-7-3-11-20-17)18-8-4-12-21-18/h1-13,19-21H
InChIKeyCXYHFLIKJTVUPD-UHFFFAOYSA-N
XLogP4.68
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-(dinaphthalen-2-ylmethyl)naphthalene;ethane;naphthalene;bis(2-(1-naphthalen-2-ylethyl)naphthalene)
CID 158656966
2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 10807638
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
CID 56601628
ethane;2-propan-2-ylnaphthalene
CID 142226111
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
naphthalen-2-ylmethanediol
CID 22496827
2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
CID 101493519
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine
CID 171371811
2-propan-2-ylpentacene
CID 153380535
2-[4-[bis(4-phenylphenyl)methyl]phenyl]naphthalene
CID 155790042
2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole
CID 102500839

Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 102416621) is 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole is c1c[nH]c(C(c2ccc3ccccc3c2)c2ccc[nH]2)c1.
What is the InChIKey of 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is CXYHFLIKJTVUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-2-6-15-13-16(10-9-14(15)5-1)19(17-7-3-11-20-17)18-8-4-12-21-18/h1-13,19-21H.
What are the key properties of 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 272.35 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 102416621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).