4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole

C22H25N — CID 67655871

IUPAC4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole
SMILESCC1(C)CCC(C)(C)c2cc3cc(C4=CCN=C4)ccc3cc21
InChIInChI=1S/C22H25N/c1-21(2)8-9-22(3,4)20-13-18-11-15(17-7-10-23-14-17)5-6-16(18)12-19(20)21/h5-7,11-14H,8-10H2,1-4H3
InChIKeyPEBHIIPTHZQSCR-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.66
Rot. Bonds1

About 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole

4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole (PubChem CID 67655871) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole.

Molecular Properties

Compound Name4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole
PubChem CID67655871
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole
SMILESCC1(C)CCC(C)(C)c2cc3cc(C4=CCN=C4)ccc3cc21
InChIInChI=1S/C22H25N/c1-21(2)8-9-22(3,4)20-13-18-11-15(17-7-10-23-14-17)5-6-16(18)12-19(20)21/h5-7,11-14H,8-10H2,1-4H3
InChIKeyPEBHIIPTHZQSCR-UHFFFAOYSA-N
XLogP5.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole?
The IUPAC name of 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole (CID 67655871) is 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole.
What is the SMILES notation for 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole?
The canonical SMILES for 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole is CC1(C)CCC(C)(C)c2cc3cc(C4=CCN=C4)ccc3cc21.
What is the InChIKey of 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole?
The InChIKey is PEBHIIPTHZQSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-21(2)8-9-22(3,4)20-13-18-11-15(17-7-10-23-14-17)5-6-16(18)12-19(20)21/h5-7,11-14H,8-10H2,1-4H3.
What are the key properties of 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole?
4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole has a molecular weight of 303.45 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole is sourced from PubChem (CID 67655871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).