2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole

C26H30N2 — CID 169050387

IUPAC2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
SMILESCC(C)(C)c1ccc2c(-c3ccc[nH]3)c(C(C)(C)C)ccc2c1-c1ccc[nH]1
InChIInChI=1S/C26H30N2/c1-25(2,3)19-13-11-18-17(23(19)21-9-7-15-27-21)12-14-20(26(4,5)6)24(18)22-10-8-16-28-22/h7-16,27-28H,1-6H3
InChIKeySBDLDMGKKXFRDX-UHFFFAOYSA-N
MW370.54 g/mol
LogP7.43
Rot. Bonds2

About 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole

2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole (PubChem CID 169050387) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
PubChem CID169050387
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
SMILESCC(C)(C)c1ccc2c(-c3ccc[nH]3)c(C(C)(C)C)ccc2c1-c1ccc[nH]1
InChIInChI=1S/C26H30N2/c1-25(2,3)19-13-11-18-17(23(19)21-9-7-15-27-21)12-14-20(26(4,5)6)24(18)22-10-8-16-28-22/h7-16,27-28H,1-6H3
InChIKeySBDLDMGKKXFRDX-UHFFFAOYSA-N
XLogP7.43
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole?
The IUPAC name of 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole (CID 169050387) is 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole.
What is the SMILES notation for 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole?
The canonical SMILES for 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole is CC(C)(C)c1ccc2c(-c3ccc[nH]3)c(C(C)(C)C)ccc2c1-c1ccc[nH]1.
What is the InChIKey of 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole?
The InChIKey is SBDLDMGKKXFRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2/c1-25(2,3)19-13-11-18-17(23(19)21-9-7-15-27-21)12-14-20(26(4,5)6)24(18)22-10-8-16-28-22/h7-16,27-28H,1-6H3.
What are the key properties of 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole?
2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole has a molecular weight of 370.54 g/mol, XLogP of 7.43, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole is sourced from PubChem (CID 169050387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).