12,12-dimethyl-10H-indeno[2,1-b]carbazole

C21H17N — CID 86685012

IUPAC12,12-dimethyl-10H-indeno[2,1-b]carbazole
SMILESCC1(C)C2=C(C=C3C=CCC=C32)C=C2N=c3ccccc3=C21
InChIInChI=1S/C21H17N/c1-21(2)19-14(11-13-7-3-4-8-15(13)19)12-18-20(21)16-9-5-6-10-17(16)22-18/h3,5-12H,4H2,1-2H3
InChIKeyYZSBOFITLUNUHC-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.52
Rot. Bonds

About 12,12-dimethyl-10H-indeno[2,1-b]carbazole

12,12-dimethyl-10H-indeno[2,1-b]carbazole (PubChem CID 86685012) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 12,12-dimethyl-10H-indeno[2,1-b]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-10H-indeno[2,1-b]carbazole
PubChem CID86685012
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name12,12-dimethyl-10H-indeno[2,1-b]carbazole
SMILESCC1(C)C2=C(C=C3C=CCC=C32)C=C2N=c3ccccc3=C21
InChIInChI=1S/C21H17N/c1-21(2)19-14(11-13-7-3-4-8-15(13)19)12-18-20(21)16-9-5-6-10-17(16)22-18/h3,5-12H,4H2,1-2H3
InChIKeyYZSBOFITLUNUHC-UHFFFAOYSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-10H-indeno[2,1-b]carbazole?
The IUPAC name of 12,12-dimethyl-10H-indeno[2,1-b]carbazole (CID 86685012) is 12,12-dimethyl-10H-indeno[2,1-b]carbazole.
What is the SMILES notation for 12,12-dimethyl-10H-indeno[2,1-b]carbazole?
The canonical SMILES for 12,12-dimethyl-10H-indeno[2,1-b]carbazole is CC1(C)C2=C(C=C3C=CCC=C32)C=C2N=c3ccccc3=C21.
What is the InChIKey of 12,12-dimethyl-10H-indeno[2,1-b]carbazole?
The InChIKey is YZSBOFITLUNUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-21(2)19-14(11-13-7-3-4-8-15(13)19)12-18-20(21)16-9-5-6-10-17(16)22-18/h3,5-12H,4H2,1-2H3.
What are the key properties of 12,12-dimethyl-10H-indeno[2,1-b]carbazole?
12,12-dimethyl-10H-indeno[2,1-b]carbazole has a molecular weight of 283.37 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-10H-indeno[2,1-b]carbazole is sourced from PubChem (CID 86685012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).