(6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole

C20H23N — CID 134959308

IUPAC(6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole
SMILESCc1ccc2c(c1)C=C[C@@]1(C)C2=NC2=C1CC(C)(C)CC2
InChIInChI=1S/C20H23N/c1-13-5-6-15-14(11-13)7-10-20(4)16-12-19(2,3)9-8-17(16)21-18(15)20/h5-7,10-11H,8-9,12H2,1-4H3/t20-/m1/s1
InChIKeyJZLGZQVXDYPABD-HXUWFJFHSA-N
MW277.41 g/mol
LogP5.30
Rot. Bonds

About (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole

(6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole (PubChem CID 134959308) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole.

Molecular Properties

Compound Name(6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole
PubChem CID134959308
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole
SMILESCc1ccc2c(c1)C=C[C@@]1(C)C2=NC2=C1CC(C)(C)CC2
InChIInChI=1S/C20H23N/c1-13-5-6-15-14(11-13)7-10-20(4)16-12-19(2,3)9-8-17(16)21-18(15)20/h5-7,10-11H,8-9,12H2,1-4H3/t20-/m1/s1
InChIKeyJZLGZQVXDYPABD-HXUWFJFHSA-N
XLogP5.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole?
The IUPAC name of (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole (CID 134959308) is (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole.
What is the SMILES notation for (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole?
The canonical SMILES for (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole is Cc1ccc2c(c1)C=C[C@@]1(C)C2=NC2=C1CC(C)(C)CC2.
What is the InChIKey of (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole?
The InChIKey is JZLGZQVXDYPABD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N/c1-13-5-6-15-14(11-13)7-10-20(4)16-12-19(2,3)9-8-17(16)21-18(15)20/h5-7,10-11H,8-9,12H2,1-4H3/t20-/m1/s1.
What are the key properties of (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole?
(6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole has a molecular weight of 277.41 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-3,6a,8,8-tetramethyl-9,10-dihydro-7H-benzo[a]carbazole is sourced from PubChem (CID 134959308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).