(4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole

C25H23N — CID 102496148

IUPAC(4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole
SMILESC1=C2N(Cc3ccccc3)c3ccccc3[C@]2(c2ccccc2)CCC1
InChIInChI=1S/C25H23N/c1-3-11-20(12-4-1)19-26-23-16-8-7-15-22(23)25(18-10-9-17-24(25)26)21-13-5-2-6-14-21/h1-8,11-17H,9-10,18-19H2/t25-/m1/s1
InChIKeyILPYZMVOMAFYJD-RUZDIDTESA-N
MW337.47 g/mol
LogP6.06
Rot. Bonds3

About (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole

(4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole (PubChem CID 102496148) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole.

Molecular Properties

Compound Name(4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole
PubChem CID102496148
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name(4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole
SMILESC1=C2N(Cc3ccccc3)c3ccccc3[C@]2(c2ccccc2)CCC1
InChIInChI=1S/C25H23N/c1-3-11-20(12-4-1)19-26-23-16-8-7-15-22(23)25(18-10-9-17-24(25)26)21-13-5-2-6-14-21/h1-8,11-17H,9-10,18-19H2/t25-/m1/s1
InChIKeyILPYZMVOMAFYJD-RUZDIDTESA-N
XLogP6.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole?
The IUPAC name of (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole (CID 102496148) is (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole.
What is the SMILES notation for (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole?
The canonical SMILES for (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole is C1=C2N(Cc3ccccc3)c3ccccc3[C@]2(c2ccccc2)CCC1.
What is the InChIKey of (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole?
The InChIKey is ILPYZMVOMAFYJD-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23N/c1-3-11-20(12-4-1)19-26-23-16-8-7-15-22(23)25(18-10-9-17-24(25)26)21-13-5-2-6-14-21/h1-8,11-17H,9-10,18-19H2/t25-/m1/s1.
What are the key properties of (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole?
(4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole has a molecular weight of 337.47 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-9-benzyl-4a-phenyl-3,4-dihydro-2H-carbazole is sourced from PubChem (CID 102496148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).