(9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole

C22H23N — CID 71110072

IUPAC(9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole
SMILESC[C@H]1C=CC2=C(C1)C(C)(C)C1=Cc3[nH]c4ccccc4c3CC12
InChIInChI=1S/C22H23N/c1-13-8-9-14-16-11-17-15-6-4-5-7-20(15)23-21(17)12-19(16)22(2,3)18(14)10-13/h4-9,12-13,16,23H,10-11H2,1-3H3/t13-,16?/m0/s1
InChIKeyBTONKMHSJBJCID-KNVGNIICSA-N
MW301.43 g/mol
LogP5.66
Rot. Bonds

About (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole

(9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole (PubChem CID 71110072) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole.

Molecular Properties

Compound Name(9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole
PubChem CID71110072
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name(9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole
SMILESC[C@H]1C=CC2=C(C1)C(C)(C)C1=Cc3[nH]c4ccccc4c3CC12
InChIInChI=1S/C22H23N/c1-13-8-9-14-16-11-17-15-6-4-5-7-20(15)23-21(17)12-19(16)22(2,3)18(14)10-13/h4-9,12-13,16,23H,10-11H2,1-3H3/t13-,16?/m0/s1
InChIKeyBTONKMHSJBJCID-KNVGNIICSA-N
XLogP5.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole?
The IUPAC name of (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole (CID 71110072) is (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole.
What is the SMILES notation for (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole?
The canonical SMILES for (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole is C[C@H]1C=CC2=C(C1)C(C)(C)C1=Cc3[nH]c4ccccc4c3CC12.
What is the InChIKey of (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole?
The InChIKey is BTONKMHSJBJCID-KNVGNIICSA-N. The full InChI is InChI=1S/C22H23N/c1-13-8-9-14-16-11-17-15-6-4-5-7-20(15)23-21(17)12-19(16)22(2,3)18(14)10-13/h4-9,12-13,16,23H,10-11H2,1-3H3/t13-,16?/m0/s1.
What are the key properties of (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole?
(9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole has a molecular weight of 301.43 g/mol, XLogP of 5.66, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole is sourced from PubChem (CID 71110072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).