(6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole

C19H21N — CID 134959840

IUPAC(6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole
SMILESCC1(C)CCC2=C(C1)[C@@]1(C)C=Cc3ccccc3C1=N2
InChIInChI=1S/C19H21N/c1-18(2)10-9-16-15(12-18)19(3)11-8-13-6-4-5-7-14(13)17(19)20-16/h4-8,11H,9-10,12H2,1-3H3/t19-/m1/s1
InChIKeyNJXMSVZTPZFFHI-LJQANCHMSA-N
MW263.38 g/mol
LogP4.99
Rot. Bonds

About (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole

(6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole (PubChem CID 134959840) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole.

Molecular Properties

Compound Name(6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole
PubChem CID134959840
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole
SMILESCC1(C)CCC2=C(C1)[C@@]1(C)C=Cc3ccccc3C1=N2
InChIInChI=1S/C19H21N/c1-18(2)10-9-16-15(12-18)19(3)11-8-13-6-4-5-7-14(13)17(19)20-16/h4-8,11H,9-10,12H2,1-3H3/t19-/m1/s1
InChIKeyNJXMSVZTPZFFHI-LJQANCHMSA-N
XLogP4.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole?
The IUPAC name of (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole (CID 134959840) is (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole.
What is the SMILES notation for (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole?
The canonical SMILES for (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole is CC1(C)CCC2=C(C1)[C@@]1(C)C=Cc3ccccc3C1=N2.
What is the InChIKey of (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole?
The InChIKey is NJXMSVZTPZFFHI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N/c1-18(2)10-9-16-15(12-18)19(3)11-8-13-6-4-5-7-14(13)17(19)20-16/h4-8,11H,9-10,12H2,1-3H3/t19-/m1/s1.
What are the key properties of (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole?
(6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole has a molecular weight of 263.38 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6a,8,8-trimethyl-9,10-dihydro-7H-benzo[a]carbazole is sourced from PubChem (CID 134959840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).