6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine

C23H19N — CID 134873283

IUPAC6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine
SMILESC1=CC2=C(c3ccccc3)C3=Nc4ccccc4CC3CC2C=C1
InChIInChI=1S/C23H19N/c1-2-8-16(9-3-1)22-20-12-6-4-10-17(20)14-19-15-18-11-5-7-13-21(18)24-23(19)22/h1-13,17,19H,14-15H2
InChIKeyLYOBQGZGNDKAGJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.53
Rot. Bonds1

About 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine

6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine (PubChem CID 134873283) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine.

Molecular Properties

Compound Name6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine
PubChem CID134873283
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine
SMILESC1=CC2=C(c3ccccc3)C3=Nc4ccccc4CC3CC2C=C1
InChIInChI=1S/C23H19N/c1-2-8-16(9-3-1)22-20-12-6-4-10-17(20)14-19-15-18-11-5-7-13-21(18)24-23(19)22/h1-13,17,19H,14-15H2
InChIKeyLYOBQGZGNDKAGJ-UHFFFAOYSA-N
XLogP5.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine?
The IUPAC name of 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine (CID 134873283) is 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine.
What is the SMILES notation for 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine?
The canonical SMILES for 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine is C1=CC2=C(c3ccccc3)C3=Nc4ccccc4CC3CC2C=C1.
What is the InChIKey of 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine?
The InChIKey is LYOBQGZGNDKAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-2-8-16(9-3-1)22-20-12-6-4-10-17(20)14-19-15-18-11-5-7-13-21(18)24-23(19)22/h1-13,17,19H,14-15H2.
What are the key properties of 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine?
6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine has a molecular weight of 309.41 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine is sourced from PubChem (CID 134873283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).